N,5-dimethyl-N-propan-2-ylhexan-1-amine;4-methyl-N-propan-2-ylpentan-1-amine

C20H46N2 — CID 159368359

IUPACN,5-dimethyl-N-propan-2-ylhexan-1-amine;4-methyl-N-propan-2-ylpentan-1-amine
SMILESCC(C)CCCCN(C)C(C)C.CC(C)CCCNC(C)C
InChIInChI=1S/C11H25N.C9H21N/c1-10(2)8-6-7-9-12(5)11(3)4;1-8(2)6-5-7-10-9(3)4/h10-11H,6-9H2,1-5H3;8-10H,5-7H2,1-4H3
InChIKeyLJKMJYJUNOEYPL-UHFFFAOYSA-N
MW314.60 g/mol
LogP5.57
Rot. Bonds11

About N,5-dimethyl-N-propan-2-ylhexan-1-amine;4-methyl-N-propan-2-ylpentan-1-amine

N,5-dimethyl-N-propan-2-ylhexan-1-amine;4-methyl-N-propan-2-ylpentan-1-amine (PubChem CID 159368359) has the molecular formula C20H46N2 and a molecular weight of 314.60 g/mol. Its IUPAC name is N,5-dimethyl-N-propan-2-ylhexan-1-amine;4-methyl-N-propan-2-ylpentan-1-amine.

Molecular Properties

Compound NameN,5-dimethyl-N-propan-2-ylhexan-1-amine;4-methyl-N-propan-2-ylpentan-1-amine
PubChem CID159368359
Molecular FormulaC20H46N2
Molecular Weight314.60 g/mol
Exact Mass314.37
IUPAC NameN,5-dimethyl-N-propan-2-ylhexan-1-amine;4-methyl-N-propan-2-ylpentan-1-amine
SMILESCC(C)CCCCN(C)C(C)C.CC(C)CCCNC(C)C
InChIInChI=1S/C11H25N.C9H21N/c1-10(2)8-6-7-9-12(5)11(3)4;1-8(2)6-5-7-10-9(3)4/h10-11H,6-9H2,1-5H3;8-10H,5-7H2,1-4H3
InChIKeyLJKMJYJUNOEYPL-UHFFFAOYSA-N
XLogP5.57
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.60
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N,5-dimethyl-N-propan-2-ylhexan-1-amine;4-methyl-N-propan-2-ylpentan-1-amine with MolForge

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Launch Full Analysis

Related Compounds

N'-[3-[methyl(propan-2-yl)amino]propyl]-N-[3-(propan-2-ylamino)propyl]butane-1,4-diamine
CID 138492017
N'-methyl-N-(4-methylpentyl)-N'-propan-2-ylethane-1,2-diamine
CID 59420439
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
4-N-butyl-4-N-methyl-1-N-propan-2-ylpentane-1,4-diamine
CID 62424956
N-[4-[methyl(propan-2-yl)amino]butyl]-4-(propan-2-ylamino)butane-1-sulfonamide
CID 106052801
N,N'-dimethyl-N'-propan-2-ylbutane-1,4-diamine
CID 57031301
13-methyl-N-propan-2-yltetradecan-1-amine;molecular hydrogen
CID 176932946
N,N'-dimethyl-N'-propan-2-ylpentane-1,5-diamine
CID 62423548
N',N'-bis(3-methylbutyl)-N-propan-2-ylhexane-1,6-diamine
CID 107871319
N'-methyl-N'-pentan-3-yl-N-propan-2-ylbutane-1,4-diamine
CID 60850483
3-methyl-1-propan-2-yloxybutane;4-methyl-N-propan-2-ylpentan-1-amine
CID 157036014
1-[methyl-[3-[methyl(propan-2-yl)amino]propylsulfamoyl]amino]-3-(propan-2-ylamino)propane
CID 106095094

Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-N-propan-2-ylhexan-1-amine;4-methyl-N-propan-2-ylpentan-1-amine?
The IUPAC name of N,5-dimethyl-N-propan-2-ylhexan-1-amine;4-methyl-N-propan-2-ylpentan-1-amine (CID 159368359) is N,5-dimethyl-N-propan-2-ylhexan-1-amine;4-methyl-N-propan-2-ylpentan-1-amine.
What is the SMILES notation for N,5-dimethyl-N-propan-2-ylhexan-1-amine;4-methyl-N-propan-2-ylpentan-1-amine?
The canonical SMILES for N,5-dimethyl-N-propan-2-ylhexan-1-amine;4-methyl-N-propan-2-ylpentan-1-amine is CC(C)CCCCN(C)C(C)C.CC(C)CCCNC(C)C.
What is the InChIKey of N,5-dimethyl-N-propan-2-ylhexan-1-amine;4-methyl-N-propan-2-ylpentan-1-amine?
The InChIKey is LJKMJYJUNOEYPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N.C9H21N/c1-10(2)8-6-7-9-12(5)11(3)4;1-8(2)6-5-7-10-9(3)4/h10-11H,6-9H2,1-5H3;8-10H,5-7H2,1-4H3.
What are the key properties of N,5-dimethyl-N-propan-2-ylhexan-1-amine;4-methyl-N-propan-2-ylpentan-1-amine?
N,5-dimethyl-N-propan-2-ylhexan-1-amine;4-methyl-N-propan-2-ylpentan-1-amine has a molecular weight of 314.60 g/mol, XLogP of 5.57, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-N-propan-2-ylhexan-1-amine;4-methyl-N-propan-2-ylpentan-1-amine is sourced from PubChem (CID 159368359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).