6-methyl-N-(5-methylhexan-2-yl)heptan-1-amine

C15H33N — CID 170090972

IUPAC6-methyl-N-(5-methylhexan-2-yl)heptan-1-amine
SMILESCC(C)CCCCCNC(C)CCC(C)C
InChIInChI=1S/C15H33N/c1-13(2)9-7-6-8-12-16-15(5)11-10-14(3)4/h13-16H,6-12H2,1-5H3
InChIKeyNIFUUWHFEWOQHO-UHFFFAOYSA-N
MW227.44 g/mol
LogP4.62
Rot. Bonds10

About 6-methyl-N-(5-methylhexan-2-yl)heptan-1-amine

6-methyl-N-(5-methylhexan-2-yl)heptan-1-amine (PubChem CID 170090972) has the molecular formula C15H33N and a molecular weight of 227.44 g/mol. Its IUPAC name is 6-methyl-N-(5-methylhexan-2-yl)heptan-1-amine.

Molecular Properties

Compound Name6-methyl-N-(5-methylhexan-2-yl)heptan-1-amine
PubChem CID170090972
Molecular FormulaC15H33N
Molecular Weight227.44 g/mol
Exact Mass227.26
IUPAC Name6-methyl-N-(5-methylhexan-2-yl)heptan-1-amine
SMILESCC(C)CCCCCNC(C)CCC(C)C
InChIInChI=1S/C15H33N/c1-13(2)9-7-6-8-12-16-15(5)11-10-14(3)4/h13-16H,6-12H2,1-5H3
InChIKeyNIFUUWHFEWOQHO-UHFFFAOYSA-N
XLogP4.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.44
LogP ≤ 54.62
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

5-methyl-N-(4-methylpentan-2-yl)hexan-1-amine
CID 115324441
N'-(5-methylhexan-2-yl)propane-1,3-diamine
CID 60889893
N-heptan-2-yldodecan-1-amine
CID 63491878
N-octan-2-ylnonan-1-amine
CID 63491715
N-heptan-2-ylheptan-1-amine
CID 43572726
N-octan-2-ylundecan-1-amine
CID 150124606
13-methyl-N-propan-2-yltetradecan-1-amine;molecular hydrogen
CID 176932946
N-(3-methoxypropyl)-5-methylhexan-2-amine
CID 43205131
5-(5-methylhexan-2-ylamino)pentanoic acid
CID 103252184
(2R)-6-methyl-N-(3-methylbutyl)heptan-2-amine
CID 38989018
5-methyl-N-(4,4,4-trifluorobutyl)hexan-2-amine
CID 81343293
10-methyl-N-(10-methylundecyl)undecan-1-amine
CID 22625170

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(5-methylhexan-2-yl)heptan-1-amine?
The IUPAC name of 6-methyl-N-(5-methylhexan-2-yl)heptan-1-amine (CID 170090972) is 6-methyl-N-(5-methylhexan-2-yl)heptan-1-amine.
What is the SMILES notation for 6-methyl-N-(5-methylhexan-2-yl)heptan-1-amine?
The canonical SMILES for 6-methyl-N-(5-methylhexan-2-yl)heptan-1-amine is CC(C)CCCCCNC(C)CCC(C)C.
What is the InChIKey of 6-methyl-N-(5-methylhexan-2-yl)heptan-1-amine?
The InChIKey is NIFUUWHFEWOQHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N/c1-13(2)9-7-6-8-12-16-15(5)11-10-14(3)4/h13-16H,6-12H2,1-5H3.
What are the key properties of 6-methyl-N-(5-methylhexan-2-yl)heptan-1-amine?
6-methyl-N-(5-methylhexan-2-yl)heptan-1-amine has a molecular weight of 227.44 g/mol, XLogP of 4.62, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(5-methylhexan-2-yl)heptan-1-amine is sourced from PubChem (CID 170090972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).