2,8-dimethylnonane;N,8-dimethyl-N-propan-2-ylnonan-1-amine;2,12-dimethyltridecane;2,10-dimethylundecane;N-[[4-(3-methylbutyl)phenyl]methyl]propan-2-amine;4-methyl-1-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]pentane;4-methyl-1-(4-methylpentoxy)pentane;N-[2-[2-(4-methylpentoxy)ethoxy]ethyl]propan-2-amine;6-methyl-N-propan-2-ylheptan-1-amine;8-methyl-N-propan-2-ylnonan-1-amine;4-methyl-N-propan-2-ylpentan-1-amine;10-methyl-N-propan-2-ylundecan-1-amine

C157H337N7O6 — CID 163651891

About 2,8-dimethylnonane;N,8-dimethyl-N-propan-2-ylnonan-1-amine;2,12-dimethyltridecane;2,10-dimethylundecane;N-[[4-(3-methylbutyl)phenyl]methyl]propan-2-amine;4-methyl-1-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]pentane;4-methyl-1-(4-methylpentoxy)pentane;N-[2-[2-(4-methylpentoxy)ethoxy]ethyl]propan-2-amine;6-methyl-N-propan-2-ylheptan-1-amine;8-methyl-N-propan-2-ylnonan-1-amine;4-methyl-N-propan-2-ylpentan-1-amine;10-methyl-N-propan-2-ylundecan-1-amine

2,8-dimethylnonane;N,8-dimethyl-N-propan-2-ylnonan-1-amine;2,12-dimethyltridecane;2,10-dimethylundecane;N-[[4-(3-methylbutyl)phenyl]methyl]propan-2-amine;4-methyl-1-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]pentane;4-methyl-1-(4-methylpentoxy)pentane;N-[2-[2-(4-methylpentoxy)ethoxy]ethyl]propan-2-amine;6-methyl-N-propan-2-ylheptan-1-amine;8-methyl-N-propan-2-ylnonan-1-amine;4-methyl-N-propan-2-ylpentan-1-amine;10-methyl-N-propan-2-ylundecan-1-amine (PubChem CID 163651891) has the molecular formula C157H337N7O6 and a molecular weight of 2419.47 g/mol. Its IUPAC name is 2,8-dimethylnonane;N,8-dimethyl-N-propan-2-ylnonan-1-amine;2,12-dimethyltridecane;2,10-dimethylundecane;N-[[4-(3-methylbutyl)phenyl]methyl]propan-2-amine;4-methyl-1-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]pentane;4-methyl-1-(4-methylpentoxy)pentane;N-[2-[2-(4-methylpentoxy)ethoxy]ethyl]propan-2-amine;6-methyl-N-propan-2-ylheptan-1-amine;8-methyl-N-propan-2-ylnonan-1-amine;4-methyl-N-propan-2-ylpentan-1-amine;10-methyl-N-propan-2-ylundecan-1-amine.

Molecular Properties

• Compound Name: 2,8-dimethylnonane;N,8-dimethyl-N-propan-2-ylnonan-1-amine;2,12-dimethyltridecane;2,10-dimethylundecane;N-[[4-(3-methylbutyl)phenyl]methyl]propan-2-amine;4-methyl-1-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]pentane;4-methyl-1-(4-methylpentoxy)pentane;N-[2-[2-(4-methylpentoxy)ethoxy]ethyl]propan-2-amine;6-methyl-N-propan-2-ylheptan-1-amine;8-methyl-N-propan-2-ylnonan-1-amine;4-methyl-N-propan-2-ylpentan-1-amine;10-methyl-N-propan-2-ylundecan-1-amine
• PubChem CID: 163651891
• Molecular Formula: C157H337N7O6
• Molecular Weight: 2419.47 g/mol
• Exact Mass: 2417.63
• IUPAC Name: 2,8-dimethylnonane;N,8-dimethyl-N-propan-2-ylnonan-1-amine;2,12-dimethyltridecane;2,10-dimethylundecane;N-[[4-(3-methylbutyl)phenyl]methyl]propan-2-amine;4-methyl-1-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]pentane;4-methyl-1-(4-methylpentoxy)pentane;N-[2-[2-(4-methylpentoxy)ethoxy]ethyl]propan-2-amine;6-methyl-N-propan-2-ylheptan-1-amine;8-methyl-N-propan-2-ylnonan-1-amine;4-methyl-N-propan-2-ylpentan-1-amine;10-methyl-N-propan-2-ylundecan-1-amine
• SMILES: CC(C)CCCCCC(C)C.CC(C)CCCCCCCC(C)C.CC(C)CCCCCCCCCC(C)C.CC(C)CCCCCCCCCNC(C)C.CC(C)CCCCCCCN(C)C(C)C.CC(C)CCCCCCCNC(C)C.CC(C)CCCCCNC(C)C.CC(C)CCCNC(C)C.CC(C)CCCOCCCC(C)C.CC(C)CCCOCCOCCNC(C)C.CC(C)CCCOCCOCCOCCCC(C)C.CC(C)CCc1ccc(CNC(C)C)cc1
• InChI: InChI=1S/C16H34O3.C15H25N.C15H33N.C15H32.C14H31N.C13H29NO2.C13H29N.C13H28.C12H26O.C11H25N.C11H24.C9H21N/c1-15(2)7-5-9-17-11-13-19-14-12-18-10-6-8-16(3)4;1-12(2)5-6-14-7-9-15(10-8-14)11-16-13(3)4;1-14(2)12-10-8-6-5-7-9-11-13-16-15(3)4;1-14(2)12-10-8-6-5-7-9-11-13-15(3)4;1-13(2)11-9-7-6-8-10-12-15(5)14(3)4;1-12(2)6-5-8-15-10-11-16-9-7-14-13(3)4;1-12(2)10-8-6-5-7-9-11-14-13(3)4;1-12(2)10-8-6-5-7-9-11-13(3)4;1-11(2)7-5-9-13-10-6-8-12(3)4;1-10(2)8-6-5-7-9-12-11(3)4;1-10(2)8-6-5-7-9-11(3)4;1-8(2)6-5-7-10-9(3)4/h15-16H,5-14H2,1-4H3;7-10,12-13,16H,5-6,11H2,1-4H3;14-16H,5-13H2,1-4H3;14-15H,5-13H2,1-4H3;13-14H,6-12H2,1-5H3;12-14H,5-11H2,1-4H3;12-14H,5-11H2,1-4H3;12-13H,5-11H2,1-4H3;11-12H,5-10H2,1-4H3;10-12H,5-9H2,1-4H3;10-11H,5-9H2,1-4H3;8-10H,5-7H2,1-4H3
• InChIKey: IMXLEFICUSVZFC-UHFFFAOYSA-N
• XLogP: 47.79
• TPSA: 130.80 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 13
• Rotatable Bonds: 104
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2419.47
LogP ≤ 5	47.79
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,8-dimethylnonane;N,8-dimethyl-N-propan-2-ylnonan-1-amine;2,12-dimethyltridecane;2,10-dimethylundecane;N-[[4-(3-methylbutyl)phenyl]methyl]propan-2-amine;4-methyl-1-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]pentane;4-methyl-1-(4-methylpentoxy)pentane;N-[2-[2-(4-methylpentoxy)ethoxy]ethyl]propan-2-amine;6-methyl-N-propan-2-ylheptan-1-amine;8-methyl-N-propan-2-ylnonan-1-amine;4-methyl-N-propan-2-ylpentan-1-amine;10-methyl-N-propan-2-ylundecan-1-amine?

The IUPAC name of 2,8-dimethylnonane;N,8-dimethyl-N-propan-2-ylnonan-1-amine;2,12-dimethyltridecane;2,10-dimethylundecane;N-[[4-(3-methylbutyl)phenyl]methyl]propan-2-amine;4-methyl-1-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]pentane;4-methyl-1-(4-methylpentoxy)pentane;N-[2-[2-(4-methylpentoxy)ethoxy]ethyl]propan-2-amine;6-methyl-N-propan-2-ylheptan-1-amine;8-methyl-N-propan-2-ylnonan-1-amine;4-methyl-N-propan-2-ylpentan-1-amine;10-methyl-N-propan-2-ylundecan-1-amine (CID 163651891) is 2,8-dimethylnonane;N,8-dimethyl-N-propan-2-ylnonan-1-amine;2,12-dimethyltridecane;2,10-dimethylundecane;N-[[4-(3-methylbutyl)phenyl]methyl]propan-2-amine;4-methyl-1-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]pentane;4-methyl-1-(4-methylpentoxy)pentane;N-[2-[2-(4-methylpentoxy)ethoxy]ethyl]propan-2-amine;6-methyl-N-propan-2-ylheptan-1-amine;8-methyl-N-propan-2-ylnonan-1-amine;4-methyl-N-propan-2-ylpentan-1-amine;10-methyl-N-propan-2-ylundecan-1-amine.

What is the SMILES notation for 2,8-dimethylnonane;N,8-dimethyl-N-propan-2-ylnonan-1-amine;2,12-dimethyltridecane;2,10-dimethylundecane;N-[[4-(3-methylbutyl)phenyl]methyl]propan-2-amine;4-methyl-1-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]pentane;4-methyl-1-(4-methylpentoxy)pentane;N-[2-[2-(4-methylpentoxy)ethoxy]ethyl]propan-2-amine;6-methyl-N-propan-2-ylheptan-1-amine;8-methyl-N-propan-2-ylnonan-1-amine;4-methyl-N-propan-2-ylpentan-1-amine;10-methyl-N-propan-2-ylundecan-1-amine?

The canonical SMILES for 2,8-dimethylnonane;N,8-dimethyl-N-propan-2-ylnonan-1-amine;2,12-dimethyltridecane;2,10-dimethylundecane;N-[[4-(3-methylbutyl)phenyl]methyl]propan-2-amine;4-methyl-1-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]pentane;4-methyl-1-(4-methylpentoxy)pentane;N-[2-[2-(4-methylpentoxy)ethoxy]ethyl]propan-2-amine;6-methyl-N-propan-2-ylheptan-1-amine;8-methyl-N-propan-2-ylnonan-1-amine;4-methyl-N-propan-2-ylpentan-1-amine;10-methyl-N-propan-2-ylundecan-1-amine is CC(C)CCCCCC(C)C.CC(C)CCCCCCCC(C)C.CC(C)CCCCCCCCCC(C)C.CC(C)CCCCCCCCCNC(C)C.CC(C)CCCCCCCN(C)C(C)C.CC(C)CCCCCCCNC(C)C.CC(C)CCCCCNC(C)C.CC(C)CCCNC(C)C.CC(C)CCCOCCCC(C)C.CC(C)CCCOCCOCCNC(C)C.CC(C)CCCOCCOCCOCCCC(C)C.CC(C)CCc1ccc(CNC(C)C)cc1.

What is the InChIKey of 2,8-dimethylnonane;N,8-dimethyl-N-propan-2-ylnonan-1-amine;2,12-dimethyltridecane;2,10-dimethylundecane;N-[[4-(3-methylbutyl)phenyl]methyl]propan-2-amine;4-methyl-1-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]pentane;4-methyl-1-(4-methylpentoxy)pentane;N-[2-[2-(4-methylpentoxy)ethoxy]ethyl]propan-2-amine;6-methyl-N-propan-2-ylheptan-1-amine;8-methyl-N-propan-2-ylnonan-1-amine;4-methyl-N-propan-2-ylpentan-1-amine;10-methyl-N-propan-2-ylundecan-1-amine?

The InChIKey is IMXLEFICUSVZFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O3.C15H25N.C15H33N.C15H32.C14H31N.C13H29NO2.C13H29N.C13H28.C12H26O.C11H25N.C11H24.C9H21N/c1-15(2)7-5-9-17-11-13-19-14-12-18-10-6-8-16(3)4;1-12(2)5-6-14-7-9-15(10-8-14)11-16-13(3)4;1-14(2)12-10-8-6-5-7-9-11-13-16-15(3)4;1-14(2)12-10-8-6-5-7-9-11-13-15(3)4;1-13(2)11-9-7-6-8-10-12-15(5)14(3)4;1-12(2)6-5-8-15-10-11-16-9-7-14-13(3)4;1-12(2)10-8-6-5-7-9-11-14-13(3)4;1-12(2)10-8-6-5-7-9-11-13(3)4;1-11(2)7-5-9-13-10-6-8-12(3)4;1-10(2)8-6-5-7-9-12-11(3)4;1-10(2)8-6-5-7-9-11(3)4;1-8(2)6-5-7-10-9(3)4/h15-16H,5-14H2,1-4H3;7-10,12-13,16H,5-6,11H2,1-4H3;14-16H,5-13H2,1-4H3;14-15H,5-13H2,1-4H3;13-14H,6-12H2,1-5H3;12-14H,5-11H2,1-4H3;12-14H,5-11H2,1-4H3;12-13H,5-11H2,1-4H3;11-12H,5-10H2,1-4H3;10-12H,5-9H2,1-4H3;10-11H,5-9H2,1-4H3;8-10H,5-7H2,1-4H3.

What are the key properties of 2,8-dimethylnonane;N,8-dimethyl-N-propan-2-ylnonan-1-amine;2,12-dimethyltridecane;2,10-dimethylundecane;N-[[4-(3-methylbutyl)phenyl]methyl]propan-2-amine;4-methyl-1-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]pentane;4-methyl-1-(4-methylpentoxy)pentane;N-[2-[2-(4-methylpentoxy)ethoxy]ethyl]propan-2-amine;6-methyl-N-propan-2-ylheptan-1-amine;8-methyl-N-propan-2-ylnonan-1-amine;4-methyl-N-propan-2-ylpentan-1-amine;10-methyl-N-propan-2-ylundecan-1-amine?

2,8-dimethylnonane;N,8-dimethyl-N-propan-2-ylnonan-1-amine;2,12-dimethyltridecane;2,10-dimethylundecane;N-[[4-(3-methylbutyl)phenyl]methyl]propan-2-amine;4-methyl-1-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]pentane;4-methyl-1-(4-methylpentoxy)pentane;N-[2-[2-(4-methylpentoxy)ethoxy]ethyl]propan-2-amine;6-methyl-N-propan-2-ylheptan-1-amine;8-methyl-N-propan-2-ylnonan-1-amine;4-methyl-N-propan-2-ylpentan-1-amine;10-methyl-N-propan-2-ylundecan-1-amine has a molecular weight of 2419.47 g/mol, XLogP of 47.79, 104 rotatable bonds, 6 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 2,8-dimethylnonane;N,8-dimethyl-N-propan-2-ylnonan-1-amine;2,12-dimethyltridecane;2,10-dimethylundecane;N-[[4-(3-methylbutyl)phenyl]methyl]propan-2-amine;4-methyl-1-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]pentane;4-methyl-1-(4-methylpentoxy)pentane;N-[2-[2-(4-methylpentoxy)ethoxy]ethyl]propan-2-amine;6-methyl-N-propan-2-ylheptan-1-amine;8-methyl-N-propan-2-ylnonan-1-amine;4-methyl-N-propan-2-ylpentan-1-amine;10-methyl-N-propan-2-ylundecan-1-amine is sourced from PubChem (CID 163651891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).