5-methyl-N-(4-methylpentan-2-yl)hexan-1-amine

C13H29N — CID 115324441

IUPAC5-methyl-N-(4-methylpentan-2-yl)hexan-1-amine
SMILESCC(C)CCCCNC(C)CC(C)C
InChIInChI=1S/C13H29N/c1-11(2)8-6-7-9-14-13(5)10-12(3)4/h11-14H,6-10H2,1-5H3
InChIKeyGZAAFOQKKPVKQV-UHFFFAOYSA-N
MW199.38 g/mol
LogP3.84
Rot. Bonds8

About 5-methyl-N-(4-methylpentan-2-yl)hexan-1-amine

5-methyl-N-(4-methylpentan-2-yl)hexan-1-amine (PubChem CID 115324441) has the molecular formula C13H29N and a molecular weight of 199.38 g/mol. Its IUPAC name is 5-methyl-N-(4-methylpentan-2-yl)hexan-1-amine.

Molecular Properties

Compound Name5-methyl-N-(4-methylpentan-2-yl)hexan-1-amine
PubChem CID115324441
Molecular FormulaC13H29N
Molecular Weight199.38 g/mol
Exact Mass199.23
IUPAC Name5-methyl-N-(4-methylpentan-2-yl)hexan-1-amine
SMILESCC(C)CCCCNC(C)CC(C)C
InChIInChI=1S/C13H29N/c1-11(2)8-6-7-9-14-13(5)10-12(3)4/h11-14H,6-10H2,1-5H3
InChIKeyGZAAFOQKKPVKQV-UHFFFAOYSA-N
XLogP3.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.38
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-N-(3-methylbutyl)pentan-2-amine
CID 21355637
6-methyl-N-(5-methylhexan-2-yl)heptan-1-amine
CID 170090972
4-[[(2R)-4-methylpentan-2-yl]amino]butan-2-ol
CID 59085020
(2S)-4-methyl-N-(3-methylsulfanylpropyl)pentan-2-amine
CID 59084806
13-methyl-N-propan-2-yltetradecan-1-amine;molecular hydrogen
CID 176932946
(2R)-6-methyl-N-(3-methylbutyl)heptan-2-amine
CID 38989018
N-[1-(4-fluorophenyl)propan-2-yl]-7-methyloctan-1-amine
CID 114828384
11-methyl-N-(6-methylheptyl)dodecan-1-amine
CID 175343740
N,5-dimethylhexan-1-amine;ethane
CID 142540507
10-methyl-N-(10-methylundecyl)undecan-1-amine
CID 22625170
N-[(2S)-1-methoxypropan-2-yl]-4-methylpentan-1-amine
CID 88856095
2,7-dimethyloctane;2,4,6-trimethylheptane
CID 160877277

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(4-methylpentan-2-yl)hexan-1-amine?
The IUPAC name of 5-methyl-N-(4-methylpentan-2-yl)hexan-1-amine (CID 115324441) is 5-methyl-N-(4-methylpentan-2-yl)hexan-1-amine.
What is the SMILES notation for 5-methyl-N-(4-methylpentan-2-yl)hexan-1-amine?
The canonical SMILES for 5-methyl-N-(4-methylpentan-2-yl)hexan-1-amine is CC(C)CCCCNC(C)CC(C)C.
What is the InChIKey of 5-methyl-N-(4-methylpentan-2-yl)hexan-1-amine?
The InChIKey is GZAAFOQKKPVKQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N/c1-11(2)8-6-7-9-14-13(5)10-12(3)4/h11-14H,6-10H2,1-5H3.
What are the key properties of 5-methyl-N-(4-methylpentan-2-yl)hexan-1-amine?
5-methyl-N-(4-methylpentan-2-yl)hexan-1-amine has a molecular weight of 199.38 g/mol, XLogP of 3.84, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(4-methylpentan-2-yl)hexan-1-amine is sourced from PubChem (CID 115324441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).