4-methyl-N-(2-methylpropyl)-N-propan-2-ylhexan-1-amine

C14H31N — CID 123350796

IUPAC4-methyl-N-(2-methylpropyl)-N-propan-2-ylhexan-1-amine
SMILESCCC(C)CCCN(CC(C)C)C(C)C
InChIInChI=1S/C14H31N/c1-7-14(6)9-8-10-15(13(4)5)11-12(2)3/h12-14H,7-11H2,1-6H3
InChIKeyNVAYTOQTYAFAFA-UHFFFAOYSA-N
MW213.41 g/mol
LogP4.18
Rot. Bonds8

About 4-methyl-N-(2-methylpropyl)-N-propan-2-ylhexan-1-amine

4-methyl-N-(2-methylpropyl)-N-propan-2-ylhexan-1-amine (PubChem CID 123350796) has the molecular formula C14H31N and a molecular weight of 213.41 g/mol. Its IUPAC name is 4-methyl-N-(2-methylpropyl)-N-propan-2-ylhexan-1-amine.

Molecular Properties

Compound Name4-methyl-N-(2-methylpropyl)-N-propan-2-ylhexan-1-amine
PubChem CID123350796
Molecular FormulaC14H31N
Molecular Weight213.41 g/mol
Exact Mass213.25
IUPAC Name4-methyl-N-(2-methylpropyl)-N-propan-2-ylhexan-1-amine
SMILESCCC(C)CCCN(CC(C)C)C(C)C
InChIInChI=1S/C14H31N/c1-7-14(6)9-8-10-15(13(4)5)11-12(2)3/h12-14H,7-11H2,1-6H3
InChIKeyNVAYTOQTYAFAFA-UHFFFAOYSA-N
XLogP4.18
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.41
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-methylpropyl)-N-propan-2-ylhexan-1-amine
CID 59980738
N-(4-methylpentyl)-N'-(2-methylpropyl)-N'-propan-2-ylethane-1,2-diamine
CID 55088829
2,6,10,14,18,22,26-heptamethyloctacosane
CID 6428605
(3R,7R)-3,7-dimethylnonane
CID 42626759
2,6,10,15,19-pentamethylhenicosane
CID 6428617
magnesium;2,6-dimethyloctane;dibromide
CID 175146229
2,11,23-trimethylpentacosane
CID 123728262
2-methyl-N-(3-pentoxypropyl)-N-propan-2-ylpropan-1-amine
CID 167156460
4-[2-methylbutyl(propan-2-yl)amino]butanoic acid
CID 62105886
3-methylheptane;2-methylpentane
CID 165405793
2,6,13-trimethylpentadecane
CID 123742386
2-methyl-N'-propan-2-yl-N'-propylpentane-1,5-diamine
CID 82682516

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-methylpropyl)-N-propan-2-ylhexan-1-amine?
The IUPAC name of 4-methyl-N-(2-methylpropyl)-N-propan-2-ylhexan-1-amine (CID 123350796) is 4-methyl-N-(2-methylpropyl)-N-propan-2-ylhexan-1-amine.
What is the SMILES notation for 4-methyl-N-(2-methylpropyl)-N-propan-2-ylhexan-1-amine?
The canonical SMILES for 4-methyl-N-(2-methylpropyl)-N-propan-2-ylhexan-1-amine is CCC(C)CCCN(CC(C)C)C(C)C.
What is the InChIKey of 4-methyl-N-(2-methylpropyl)-N-propan-2-ylhexan-1-amine?
The InChIKey is NVAYTOQTYAFAFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N/c1-7-14(6)9-8-10-15(13(4)5)11-12(2)3/h12-14H,7-11H2,1-6H3.
What are the key properties of 4-methyl-N-(2-methylpropyl)-N-propan-2-ylhexan-1-amine?
4-methyl-N-(2-methylpropyl)-N-propan-2-ylhexan-1-amine has a molecular weight of 213.41 g/mol, XLogP of 4.18, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2-methylpropyl)-N-propan-2-ylhexan-1-amine is sourced from PubChem (CID 123350796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).