12-methyltridecan-1-amine

C14H31N — CID 10353173

IUPAC12-methyltridecan-1-amine
SMILESCC(C)CCCCCCCCCCCN
InChIInChI=1S/C14H31N/c1-14(2)12-10-8-6-4-3-5-7-9-11-13-15/h14H,3-13,15H2,1-2H3
InChIKeyVFFDVELHRCMPLY-UHFFFAOYSA-N
MW213.41 g/mol
LogP4.50
Rot. Bonds11

About 12-methyltridecan-1-amine

12-methyltridecan-1-amine (PubChem CID 10353173) has the molecular formula C14H31N and a molecular weight of 213.41 g/mol. Its IUPAC name is 12-methyltridecan-1-amine.

Molecular Properties

Compound Name12-methyltridecan-1-amine
PubChem CID10353173
Molecular FormulaC14H31N
Molecular Weight213.41 g/mol
Exact Mass213.25
IUPAC Name12-methyltridecan-1-amine
SMILESCC(C)CCCCCCCCCCCN
InChIInChI=1S/C14H31N/c1-14(2)12-10-8-6-4-3-5-7-9-11-13-15/h14H,3-13,15H2,1-2H3
InChIKeyVFFDVELHRCMPLY-UHFFFAOYSA-N
XLogP4.50
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.41
LogP ≤ 54.50
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 12-methyltridecan-1-amine?
The IUPAC name of 12-methyltridecan-1-amine (CID 10353173) is 12-methyltridecan-1-amine.
What is the SMILES notation for 12-methyltridecan-1-amine?
The canonical SMILES for 12-methyltridecan-1-amine is CC(C)CCCCCCCCCCCN.
What is the InChIKey of 12-methyltridecan-1-amine?
The InChIKey is VFFDVELHRCMPLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N/c1-14(2)12-10-8-6-4-3-5-7-9-11-13-15/h14H,3-13,15H2,1-2H3.
What are the key properties of 12-methyltridecan-1-amine?
12-methyltridecan-1-amine has a molecular weight of 213.41 g/mol, XLogP of 4.50, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 12-methyltridecan-1-amine is sourced from PubChem (CID 10353173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).