2-methyltridecan-2-amine

C14H31N — CID 10262644

IUPAC2-methyltridecan-2-amine
SMILESCCCCCCCCCCCC(C)(C)N
InChIInChI=1S/C14H31N/c1-4-5-6-7-8-9-10-11-12-13-14(2,3)15/h4-13,15H2,1-3H3
InChIKeyNTWORZKWAKBVFS-UHFFFAOYSA-N
MW213.41 g/mol
LogP4.64
Rot. Bonds10

About 2-methyltridecan-2-amine

2-methyltridecan-2-amine (PubChem CID 10262644) has the molecular formula C14H31N and a molecular weight of 213.41 g/mol. Its IUPAC name is 2-methyltridecan-2-amine.

Molecular Properties

Compound Name2-methyltridecan-2-amine
PubChem CID10262644
Molecular FormulaC14H31N
Molecular Weight213.41 g/mol
Exact Mass213.25
IUPAC Name2-methyltridecan-2-amine
SMILESCCCCCCCCCCCC(C)(C)N
InChIInChI=1S/C14H31N/c1-4-5-6-7-8-9-10-11-12-13-14(2,3)15/h4-13,15H2,1-3H3
InChIKeyNTWORZKWAKBVFS-UHFFFAOYSA-N
XLogP4.64
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.41
LogP ≤ 54.64
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-methyltridecan-2-amine?
The IUPAC name of 2-methyltridecan-2-amine (CID 10262644) is 2-methyltridecan-2-amine.
What is the SMILES notation for 2-methyltridecan-2-amine?
The canonical SMILES for 2-methyltridecan-2-amine is CCCCCCCCCCCC(C)(C)N.
What is the InChIKey of 2-methyltridecan-2-amine?
The InChIKey is NTWORZKWAKBVFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N/c1-4-5-6-7-8-9-10-11-12-13-14(2,3)15/h4-13,15H2,1-3H3.
What are the key properties of 2-methyltridecan-2-amine?
2-methyltridecan-2-amine has a molecular weight of 213.41 g/mol, XLogP of 4.64, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyltridecan-2-amine is sourced from PubChem (CID 10262644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).