4-methyl-2-(3-methylpentan-3-yl)hexan-1-amine

C13H29N — CID 89076021

IUPAC4-methyl-2-(3-methylpentan-3-yl)hexan-1-amine
SMILESCCC(C)CC(CN)C(C)(CC)CC
InChIInChI=1S/C13H29N/c1-6-11(4)9-12(10-14)13(5,7-2)8-3/h11-12H,6-10,14H2,1-5H3
InChIKeyQTNYPULSWVAUHP-UHFFFAOYSA-N
MW199.38 g/mol
LogP3.82
Rot. Bonds7

About 4-methyl-2-(3-methylpentan-3-yl)hexan-1-amine

4-methyl-2-(3-methylpentan-3-yl)hexan-1-amine (PubChem CID 89076021) has the molecular formula C13H29N and a molecular weight of 199.38 g/mol. Its IUPAC name is 4-methyl-2-(3-methylpentan-3-yl)hexan-1-amine.

Molecular Properties

Compound Name4-methyl-2-(3-methylpentan-3-yl)hexan-1-amine
PubChem CID89076021
Molecular FormulaC13H29N
Molecular Weight199.38 g/mol
Exact Mass199.23
IUPAC Name4-methyl-2-(3-methylpentan-3-yl)hexan-1-amine
SMILESCCC(C)CC(CN)C(C)(CC)CC
InChIInChI=1S/C13H29N/c1-6-11(4)9-12(10-14)13(5,7-2)8-3/h11-12H,6-10,14H2,1-5H3
InChIKeyQTNYPULSWVAUHP-UHFFFAOYSA-N
XLogP3.82
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.38
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;(2S)-2-methylbutan-1-amine
CID 168995641
(5S)-5-(2-fluoropropan-2-yl)-3-methyloctane
CID 163585201
3,3,5,7-tetramethylnonane
CID 57490983
3,5-dimethylheptane;ethane
CID 172617343
(2S)-4-methylhexan-2-amine
CID 141201507
5-ethyl-2,5-dimethyl-4-propylheptane
CID 19848557
2,2,5-trimethyl-3-propan-2-ylheptane
CID 57158137
3,7,7-trimethyl-6-(2-methylbutyl)decane
CID 90869140
(4S)-2,4-dimethylhexane
CID 22810193
3,7,9,9-tetramethyldecan-5-amine
CID 115846063
4-(aminomethyl)-3-ethyl-2-methylhexan-3-ol
CID 79134647
3-(aminomethyl)-4,5-dimethylheptan-4-ol
CID 79134739

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(3-methylpentan-3-yl)hexan-1-amine?
The IUPAC name of 4-methyl-2-(3-methylpentan-3-yl)hexan-1-amine (CID 89076021) is 4-methyl-2-(3-methylpentan-3-yl)hexan-1-amine.
What is the SMILES notation for 4-methyl-2-(3-methylpentan-3-yl)hexan-1-amine?
The canonical SMILES for 4-methyl-2-(3-methylpentan-3-yl)hexan-1-amine is CCC(C)CC(CN)C(C)(CC)CC.
What is the InChIKey of 4-methyl-2-(3-methylpentan-3-yl)hexan-1-amine?
The InChIKey is QTNYPULSWVAUHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N/c1-6-11(4)9-12(10-14)13(5,7-2)8-3/h11-12H,6-10,14H2,1-5H3.
What are the key properties of 4-methyl-2-(3-methylpentan-3-yl)hexan-1-amine?
4-methyl-2-(3-methylpentan-3-yl)hexan-1-amine has a molecular weight of 199.38 g/mol, XLogP of 3.82, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(3-methylpentan-3-yl)hexan-1-amine is sourced from PubChem (CID 89076021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).