3-methylpentadecan-1-amine

C16H35N — CID 57147657

IUPAC3-methylpentadecan-1-amine
SMILESCCCCCCCCCCCCC(C)CCN
InChIInChI=1S/C16H35N/c1-3-4-5-6-7-8-9-10-11-12-13-16(2)14-15-17/h16H,3-15,17H2,1-2H3
InChIKeyXANKLBVEPKYUFG-UHFFFAOYSA-N
MW241.46 g/mol
LogP5.28
Rot. Bonds13

About 3-methylpentadecan-1-amine

3-methylpentadecan-1-amine (PubChem CID 57147657) has the molecular formula C16H35N and a molecular weight of 241.46 g/mol. Its IUPAC name is 3-methylpentadecan-1-amine.

Molecular Properties

Compound Name3-methylpentadecan-1-amine
PubChem CID57147657
Molecular FormulaC16H35N
Molecular Weight241.46 g/mol
Exact Mass241.28
IUPAC Name3-methylpentadecan-1-amine
SMILESCCCCCCCCCCCCC(C)CCN
InChIInChI=1S/C16H35N/c1-3-4-5-6-7-8-9-10-11-12-13-16(2)14-15-17/h16H,3-15,17H2,1-2H3
InChIKeyXANKLBVEPKYUFG-UHFFFAOYSA-N
XLogP5.28
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500241.46
LogP ≤ 55.28
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

5,9-dimethyloctadecan-1-amine
CID 174923758
27-methyltripentacontane
CID 91450521
8,13-dimethyloctacosane
CID 71323274
6-methylheptacosane
CID 22223776
15-methylhexatriacontane
CID 86002594
10,16-dimethyldotriacontane
CID 91748795
15-methyldotriacontane
CID 54168480
20-methyltetracontane
CID 20659070
8-methyloctacosane
CID 22224109
13,19-dimethylhentriacontane
CID 86136051
(6S)-6-methylnonadecane
CID 170848379
13,23-dimethylhexatriacontane
CID 6430392

Frequently Asked Questions

What is the IUPAC name of 3-methylpentadecan-1-amine?
The IUPAC name of 3-methylpentadecan-1-amine (CID 57147657) is 3-methylpentadecan-1-amine.
What is the SMILES notation for 3-methylpentadecan-1-amine?
The canonical SMILES for 3-methylpentadecan-1-amine is CCCCCCCCCCCCC(C)CCN.
What is the InChIKey of 3-methylpentadecan-1-amine?
The InChIKey is XANKLBVEPKYUFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N/c1-3-4-5-6-7-8-9-10-11-12-13-16(2)14-15-17/h16H,3-15,17H2,1-2H3.
What are the key properties of 3-methylpentadecan-1-amine?
3-methylpentadecan-1-amine has a molecular weight of 241.46 g/mol, XLogP of 5.28, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylpentadecan-1-amine is sourced from PubChem (CID 57147657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).