(12S)-12-methyltetradecan-1-amine

C15H33N — CID 10443740

IUPAC(12S)-12-methyltetradecan-1-amine
SMILESCC[C@H](C)CCCCCCCCCCCN
InChIInChI=1S/C15H33N/c1-3-15(2)13-11-9-7-5-4-6-8-10-12-14-16/h15H,3-14,16H2,1-2H3/t15-/m0/s1
InChIKeyPKFQANQONAAVFD-HNNXBMFYSA-N
MW227.44 g/mol
LogP4.89
Rot. Bonds12

About (12S)-12-methyltetradecan-1-amine

(12S)-12-methyltetradecan-1-amine (PubChem CID 10443740) has the molecular formula C15H33N and a molecular weight of 227.44 g/mol. Its IUPAC name is (12S)-12-methyltetradecan-1-amine.

Molecular Properties

Compound Name(12S)-12-methyltetradecan-1-amine
PubChem CID10443740
Molecular FormulaC15H33N
Molecular Weight227.44 g/mol
Exact Mass227.26
IUPAC Name(12S)-12-methyltetradecan-1-amine
SMILESCC[C@H](C)CCCCCCCCCCCN
InChIInChI=1S/C15H33N/c1-3-15(2)13-11-9-7-5-4-6-8-10-12-14-16/h15H,3-14,16H2,1-2H3/t15-/m0/s1
InChIKeyPKFQANQONAAVFD-HNNXBMFYSA-N
XLogP4.89
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.44
LogP ≤ 54.89
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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Frequently Asked Questions

What is the IUPAC name of (12S)-12-methyltetradecan-1-amine?
The IUPAC name of (12S)-12-methyltetradecan-1-amine (CID 10443740) is (12S)-12-methyltetradecan-1-amine.
What is the SMILES notation for (12S)-12-methyltetradecan-1-amine?
The canonical SMILES for (12S)-12-methyltetradecan-1-amine is CC[C@H](C)CCCCCCCCCCCN.
What is the InChIKey of (12S)-12-methyltetradecan-1-amine?
The InChIKey is PKFQANQONAAVFD-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H33N/c1-3-15(2)13-11-9-7-5-4-6-8-10-12-14-16/h15H,3-14,16H2,1-2H3/t15-/m0/s1.
What are the key properties of (12S)-12-methyltetradecan-1-amine?
(12S)-12-methyltetradecan-1-amine has a molecular weight of 227.44 g/mol, XLogP of 4.89, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (12S)-12-methyltetradecan-1-amine is sourced from PubChem (CID 10443740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).