3-methyloctadec-2-en-2-amine

C19H39N — CID 87741791

IUPAC3-methyloctadec-2-en-2-amine
SMILESCCCCCCCCCCCCCCCC(C)=C(C)N
InChIInChI=1S/C19H39N/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2)19(3)20/h4-17,20H2,1-3H3
InChIKeyCZXIVENDJGCSTN-UHFFFAOYSA-N
MW281.53 g/mol
LogP6.72
Rot. Bonds14

About 3-methyloctadec-2-en-2-amine

3-methyloctadec-2-en-2-amine (PubChem CID 87741791) has the molecular formula C19H39N and a molecular weight of 281.53 g/mol. Its IUPAC name is 3-methyloctadec-2-en-2-amine.

Molecular Properties

Compound Name3-methyloctadec-2-en-2-amine
PubChem CID87741791
Molecular FormulaC19H39N
Molecular Weight281.53 g/mol
Exact Mass281.31
IUPAC Name3-methyloctadec-2-en-2-amine
SMILESCCCCCCCCCCCCCCCC(C)=C(C)N
InChIInChI=1S/C19H39N/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2)19(3)20/h4-17,20H2,1-3H3
InChIKeyCZXIVENDJGCSTN-UHFFFAOYSA-N
XLogP6.72
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.53
LogP ≤ 56.72
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

3-methylhept-2-en-2-amine
CID 87258436
8,9-dimethylhexadec-8-ene
CID 140717938
2,3-dimethyltridec-2-ene
CID 22376033
(E)-3,4-dimethylicos-3-ene
CID 173263978
tetradecanamide
CID 175692014
nonacosanamide
CID 21105912
tetrapentacontanamide
CID 139682680
(Z)-10-methyl-9-propylicos-9-ene
CID 18601799
acetamide;decanamide;dihydrochloride
CID 141131942
10-methyl-9-propylicos-9-ene
CID 57290137
butane;octanamide
CID 87511414
hexadec-1-ene-1,1,2-triamine
CID 175489585

Frequently Asked Questions

What is the IUPAC name of 3-methyloctadec-2-en-2-amine?
The IUPAC name of 3-methyloctadec-2-en-2-amine (CID 87741791) is 3-methyloctadec-2-en-2-amine.
What is the SMILES notation for 3-methyloctadec-2-en-2-amine?
The canonical SMILES for 3-methyloctadec-2-en-2-amine is CCCCCCCCCCCCCCCC(C)=C(C)N.
What is the InChIKey of 3-methyloctadec-2-en-2-amine?
The InChIKey is CZXIVENDJGCSTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39N/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2)19(3)20/h4-17,20H2,1-3H3.
What are the key properties of 3-methyloctadec-2-en-2-amine?
3-methyloctadec-2-en-2-amine has a molecular weight of 281.53 g/mol, XLogP of 6.72, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyloctadec-2-en-2-amine is sourced from PubChem (CID 87741791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).