3,4-dimethylnonadec-2-en-2-amine

C21H43N — CID 173005277

IUPAC3,4-dimethylnonadec-2-en-2-amine
SMILESCCCCCCCCCCCCCCCC(C)C(C)=C(C)N
InChIInChI=1S/C21H43N/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(2)20(3)21(4)22/h19H,5-18,22H2,1-4H3
InChIKeyIXTYCRAOAFFCLE-UHFFFAOYSA-N
MW309.58 g/mol
LogP7.36
Rot. Bonds15

About 3,4-dimethylnonadec-2-en-2-amine

3,4-dimethylnonadec-2-en-2-amine (PubChem CID 173005277) has the molecular formula C21H43N and a molecular weight of 309.58 g/mol. Its IUPAC name is 3,4-dimethylnonadec-2-en-2-amine.

Molecular Properties

Compound Name3,4-dimethylnonadec-2-en-2-amine
PubChem CID173005277
Molecular FormulaC21H43N
Molecular Weight309.58 g/mol
Exact Mass309.34
IUPAC Name3,4-dimethylnonadec-2-en-2-amine
SMILESCCCCCCCCCCCCCCCC(C)C(C)=C(C)N
InChIInChI=1S/C21H43N/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(2)20(3)21(4)22/h19H,5-18,22H2,1-4H3
InChIKeyIXTYCRAOAFFCLE-UHFFFAOYSA-N
XLogP7.36
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.58
LogP ≤ 57.36
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 3,4-dimethylnonadec-2-en-2-amine?
The IUPAC name of 3,4-dimethylnonadec-2-en-2-amine (CID 173005277) is 3,4-dimethylnonadec-2-en-2-amine.
What is the SMILES notation for 3,4-dimethylnonadec-2-en-2-amine?
The canonical SMILES for 3,4-dimethylnonadec-2-en-2-amine is CCCCCCCCCCCCCCCC(C)C(C)=C(C)N.
What is the InChIKey of 3,4-dimethylnonadec-2-en-2-amine?
The InChIKey is IXTYCRAOAFFCLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H43N/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(2)20(3)21(4)22/h19H,5-18,22H2,1-4H3.
What are the key properties of 3,4-dimethylnonadec-2-en-2-amine?
3,4-dimethylnonadec-2-en-2-amine has a molecular weight of 309.58 g/mol, XLogP of 7.36, 15 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethylnonadec-2-en-2-amine is sourced from PubChem (CID 173005277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).