2-methylpentadecan-2-amine

C16H35N — CID 14325080

IUPAC2-methylpentadecan-2-amine
SMILESCCCCCCCCCCCCCC(C)(C)N
InChIInChI=1S/C16H35N/c1-4-5-6-7-8-9-10-11-12-13-14-15-16(2,3)17/h4-15,17H2,1-3H3
InChIKeyOWEJNUBCZDCKRT-UHFFFAOYSA-N
MW241.46 g/mol
LogP5.42
Rot. Bonds12

About 2-methylpentadecan-2-amine

2-methylpentadecan-2-amine (PubChem CID 14325080) has the molecular formula C16H35N and a molecular weight of 241.46 g/mol. Its IUPAC name is 2-methylpentadecan-2-amine.

Molecular Properties

Compound Name2-methylpentadecan-2-amine
PubChem CID14325080
Molecular FormulaC16H35N
Molecular Weight241.46 g/mol
Exact Mass241.28
IUPAC Name2-methylpentadecan-2-amine
SMILESCCCCCCCCCCCCCC(C)(C)N
InChIInChI=1S/C16H35N/c1-4-5-6-7-8-9-10-11-12-13-14-15-16(2,3)17/h4-15,17H2,1-3H3
InChIKeyOWEJNUBCZDCKRT-UHFFFAOYSA-N
XLogP5.42
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500241.46
LogP ≤ 55.42
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 2-methylpentadecan-2-amine?
The IUPAC name of 2-methylpentadecan-2-amine (CID 14325080) is 2-methylpentadecan-2-amine.
What is the SMILES notation for 2-methylpentadecan-2-amine?
The canonical SMILES for 2-methylpentadecan-2-amine is CCCCCCCCCCCCCC(C)(C)N.
What is the InChIKey of 2-methylpentadecan-2-amine?
The InChIKey is OWEJNUBCZDCKRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N/c1-4-5-6-7-8-9-10-11-12-13-14-15-16(2,3)17/h4-15,17H2,1-3H3.
What are the key properties of 2-methylpentadecan-2-amine?
2-methylpentadecan-2-amine has a molecular weight of 241.46 g/mol, XLogP of 5.42, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpentadecan-2-amine is sourced from PubChem (CID 14325080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).