2,3-dimethylhexadecan-2-amine

C18H39N — CID 87479269

IUPAC2,3-dimethylhexadecan-2-amine
SMILESCCCCCCCCCCCCCC(C)C(C)(C)N
InChIInChI=1S/C18H39N/c1-5-6-7-8-9-10-11-12-13-14-15-16-17(2)18(3,4)19/h17H,5-16,19H2,1-4H3
InChIKeyUMIJLOWGROWNMY-UHFFFAOYSA-N
MW269.52 g/mol
LogP6.06
Rot. Bonds13

About 2,3-dimethylhexadecan-2-amine

2,3-dimethylhexadecan-2-amine (PubChem CID 87479269) has the molecular formula C18H39N and a molecular weight of 269.52 g/mol. Its IUPAC name is 2,3-dimethylhexadecan-2-amine.

Molecular Properties

Compound Name2,3-dimethylhexadecan-2-amine
PubChem CID87479269
Molecular FormulaC18H39N
Molecular Weight269.52 g/mol
Exact Mass269.31
IUPAC Name2,3-dimethylhexadecan-2-amine
SMILESCCCCCCCCCCCCCC(C)C(C)(C)N
InChIInChI=1S/C18H39N/c1-5-6-7-8-9-10-11-12-13-14-15-16-17(2)18(3,4)19/h17H,5-16,19H2,1-4H3
InChIKeyUMIJLOWGROWNMY-UHFFFAOYSA-N
XLogP6.06
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500269.52
LogP ≤ 56.06
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

2,3-dimethylnonan-2-amine;hydrofluoride
CID 173042328
acetic acid;2,3-dimethylundecan-2-amine
CID 173175122
2,3-dimethylundecan-2-amine;sulfuric acid
CID 170436301
2,3-dimethyldecan-2-amine;propanoic acid
CID 173175223
3-methylheptadecane-2,2-diamine
CID 141040528
2,3-dimethylundecan-2-amine;pentanoic acid
CID 173175135
2,3-dimethylnonan-2-amine;hexanoic acid
CID 173175130
2-amino-3-methylheptadecan-2-ol
CID 88695872
11,12-dimethylheptacosan-11-amine
CID 174255229
2,2,3-trimethylundecane
CID 21285055
3-ethyl-4-methylicosan-3-amine
CID 88992847
3-hexyl-2-methylundecan-2-amine
CID 89005835

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylhexadecan-2-amine?
The IUPAC name of 2,3-dimethylhexadecan-2-amine (CID 87479269) is 2,3-dimethylhexadecan-2-amine.
What is the SMILES notation for 2,3-dimethylhexadecan-2-amine?
The canonical SMILES for 2,3-dimethylhexadecan-2-amine is CCCCCCCCCCCCCC(C)C(C)(C)N.
What is the InChIKey of 2,3-dimethylhexadecan-2-amine?
The InChIKey is UMIJLOWGROWNMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H39N/c1-5-6-7-8-9-10-11-12-13-14-15-16-17(2)18(3,4)19/h17H,5-16,19H2,1-4H3.
What are the key properties of 2,3-dimethylhexadecan-2-amine?
2,3-dimethylhexadecan-2-amine has a molecular weight of 269.52 g/mol, XLogP of 6.06, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylhexadecan-2-amine is sourced from PubChem (CID 87479269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).