3-methyl-2-(4-methylpentoxy)-N-propan-2-ylbutan-1-amine

C14H31NO — CID 62456225

IUPAC3-methyl-2-(4-methylpentoxy)-N-propan-2-ylbutan-1-amine
SMILESCC(C)CCCOC(CNC(C)C)C(C)C
InChIInChI=1S/C14H31NO/c1-11(2)8-7-9-16-14(12(3)4)10-15-13(5)6/h11-15H,7-10H2,1-6H3
InChIKeyBNAYVSNQZZOWLK-UHFFFAOYSA-N
MW229.41 g/mol
LogP3.46
Rot. Bonds9

About 3-methyl-2-(4-methylpentoxy)-N-propan-2-ylbutan-1-amine

3-methyl-2-(4-methylpentoxy)-N-propan-2-ylbutan-1-amine (PubChem CID 62456225) has the molecular formula C14H31NO and a molecular weight of 229.41 g/mol. Its IUPAC name is 3-methyl-2-(4-methylpentoxy)-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name3-methyl-2-(4-methylpentoxy)-N-propan-2-ylbutan-1-amine
PubChem CID62456225
Molecular FormulaC14H31NO
Molecular Weight229.41 g/mol
Exact Mass229.24
IUPAC Name3-methyl-2-(4-methylpentoxy)-N-propan-2-ylbutan-1-amine
SMILESCC(C)CCCOC(CNC(C)C)C(C)C
InChIInChI=1S/C14H31NO/c1-11(2)8-7-9-16-14(12(3)4)10-15-13(5)6/h11-15H,7-10H2,1-6H3
InChIKeyBNAYVSNQZZOWLK-UHFFFAOYSA-N
XLogP3.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.41
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(2-methoxyethoxy)propoxy]-3-methyl-N-propan-2-ylbutan-1-amine
CID 103406315
2-[2-[di(propan-2-yl)amino]ethoxy]-3-methyl-N-propan-2-ylbutan-1-amine
CID 115505833
4-methyl-1-(3-methylbutan-2-yloxy)pentane
CID 123348302
3-methyl-2-(2-phenylethoxy)-N-propan-2-ylbutan-1-amine
CID 115003011
N-tert-butyl-3-methyl-2-(3-methylbutoxy)butan-1-amine
CID 62444012
2-but-2-enoxy-3-methyl-N-propan-2-ylbutan-1-amine
CID 76943487
N-[2-(4-methylpentoxy)-2-(3-methylphenyl)ethyl]propan-2-amine
CID 63475005
3-methyl-1-propan-2-yloxybutane;4-methyl-N-propan-2-ylpentan-1-amine
CID 157036014
5-(4-methylpentoxy)-N-propan-2-ylpentan-1-amine
CID 62457764
3-methoxy-N-methyl-2-(4-methylpentoxy)propan-1-amine
CID 103227898
1-(3-bromo-1,4-dichlorobutan-2-yl)oxy-4-methylpentane
CID 114773446
N-[2-(4-methylpentoxy)propyl]cyclopentanamine
CID 62598653

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(4-methylpentoxy)-N-propan-2-ylbutan-1-amine?
The IUPAC name of 3-methyl-2-(4-methylpentoxy)-N-propan-2-ylbutan-1-amine (CID 62456225) is 3-methyl-2-(4-methylpentoxy)-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for 3-methyl-2-(4-methylpentoxy)-N-propan-2-ylbutan-1-amine?
The canonical SMILES for 3-methyl-2-(4-methylpentoxy)-N-propan-2-ylbutan-1-amine is CC(C)CCCOC(CNC(C)C)C(C)C.
What is the InChIKey of 3-methyl-2-(4-methylpentoxy)-N-propan-2-ylbutan-1-amine?
The InChIKey is BNAYVSNQZZOWLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO/c1-11(2)8-7-9-16-14(12(3)4)10-15-13(5)6/h11-15H,7-10H2,1-6H3.
What are the key properties of 3-methyl-2-(4-methylpentoxy)-N-propan-2-ylbutan-1-amine?
3-methyl-2-(4-methylpentoxy)-N-propan-2-ylbutan-1-amine has a molecular weight of 229.41 g/mol, XLogP of 3.46, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(4-methylpentoxy)-N-propan-2-ylbutan-1-amine is sourced from PubChem (CID 62456225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).