(Z)-2,3-dimethylnonadec-10-en-2-amine;hydrochloride

C21H44ClN — CID 87981433

IUPAC(Z)-2,3-dimethylnonadec-10-en-2-amine;hydrochloride
SMILESCCCCCCCC/C=C\CCCCCCC(C)C(C)(C)N.Cl
InChIInChI=1S/C21H43N.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2)21(3,4)22;/h12-13,20H,5-11,14-19,22H2,1-4H3;1H/b13-12-;
InChIKeyADYSSAFXKMDFCL-USGGBSEESA-N
MW346.04 g/mol
LogP7.43
Rot. Bonds15

About (Z)-2,3-dimethylnonadec-10-en-2-amine;hydrochloride

(Z)-2,3-dimethylnonadec-10-en-2-amine;hydrochloride (PubChem CID 87981433) has the molecular formula C21H44ClN and a molecular weight of 346.04 g/mol. Its IUPAC name is (Z)-2,3-dimethylnonadec-10-en-2-amine;hydrochloride.

Molecular Properties

Compound Name(Z)-2,3-dimethylnonadec-10-en-2-amine;hydrochloride
PubChem CID87981433
Molecular FormulaC21H44ClN
Molecular Weight346.04 g/mol
Exact Mass345.32
IUPAC Name(Z)-2,3-dimethylnonadec-10-en-2-amine;hydrochloride
SMILESCCCCCCCC/C=C\CCCCCCC(C)C(C)(C)N.Cl
InChIInChI=1S/C21H43N.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2)21(3,4)22;/h12-13,20H,5-11,14-19,22H2,1-4H3;1H/b13-12-;
InChIKeyADYSSAFXKMDFCL-USGGBSEESA-N
XLogP7.43
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.04
LogP ≤ 57.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-2,3-dimethylnonadec-10-en-2-amine;hydrochloride?
The IUPAC name of (Z)-2,3-dimethylnonadec-10-en-2-amine;hydrochloride (CID 87981433) is (Z)-2,3-dimethylnonadec-10-en-2-amine;hydrochloride.
What is the SMILES notation for (Z)-2,3-dimethylnonadec-10-en-2-amine;hydrochloride?
The canonical SMILES for (Z)-2,3-dimethylnonadec-10-en-2-amine;hydrochloride is CCCCCCCC/C=C\CCCCCCC(C)C(C)(C)N.Cl.
What is the InChIKey of (Z)-2,3-dimethylnonadec-10-en-2-amine;hydrochloride?
The InChIKey is ADYSSAFXKMDFCL-USGGBSEESA-N. The full InChI is InChI=1S/C21H43N.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2)21(3,4)22;/h12-13,20H,5-11,14-19,22H2,1-4H3;1H/b13-12-;.
What are the key properties of (Z)-2,3-dimethylnonadec-10-en-2-amine;hydrochloride?
(Z)-2,3-dimethylnonadec-10-en-2-amine;hydrochloride has a molecular weight of 346.04 g/mol, XLogP of 7.43, 15 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2,3-dimethylnonadec-10-en-2-amine;hydrochloride is sourced from PubChem (CID 87981433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).