3,3-dimethylnonadec-1-en-4-amine;hydrochloride

C21H44ClN — CID 175129855

IUPAC3,3-dimethylnonadec-1-en-4-amine;hydrochloride
SMILESC=CC(C)(C)C(N)CCCCCCCCCCCCCCC.Cl
InChIInChI=1S/C21H43N.ClH/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20(22)21(3,4)6-2;/h6,20H,2,5,7-19,22H2,1,3-4H3;1H
InChIKeyRALJECBQUQCKPQ-UHFFFAOYSA-N
MW346.04 g/mol
LogP7.43
Rot. Bonds16

About 3,3-dimethylnonadec-1-en-4-amine;hydrochloride

3,3-dimethylnonadec-1-en-4-amine;hydrochloride (PubChem CID 175129855) has the molecular formula C21H44ClN and a molecular weight of 346.04 g/mol. Its IUPAC name is 3,3-dimethylnonadec-1-en-4-amine;hydrochloride.

Molecular Properties

Compound Name3,3-dimethylnonadec-1-en-4-amine;hydrochloride
PubChem CID175129855
Molecular FormulaC21H44ClN
Molecular Weight346.04 g/mol
Exact Mass345.32
IUPAC Name3,3-dimethylnonadec-1-en-4-amine;hydrochloride
SMILESC=CC(C)(C)C(N)CCCCCCCCCCCCCCC.Cl
InChIInChI=1S/C21H43N.ClH/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20(22)21(3,4)6-2;/h6,20H,2,5,7-19,22H2,1,3-4H3;1H
InChIKeyRALJECBQUQCKPQ-UHFFFAOYSA-N
XLogP7.43
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds16
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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Related Compounds

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(3S)-2,2-dimethyloctan-3-amine
CID 93237613
2-aminotetradecane-1,1,1-triol;hydrochloride
CID 173374049
3-amino-2-methyloctane-2-sulfonic acid;prop-1-ene
CID 174807059
2-N,2-N,2-trimethylnonane-2,3-diamine
CID 79053375
henicosane-8,14-diamine;dihydrochloride
CID 170909168
octadecan-9-amine;hydrochloride
CID 19002510
4,4-dimethylicosan-5-amine;hydrobromide
CID 173152006
2-methyl-3-prop-2-enylheptadecan-2-amine;hydrochloride
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2-ethoxy-2-methylundecan-3-amine
CID 116726130

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethylnonadec-1-en-4-amine;hydrochloride?
The IUPAC name of 3,3-dimethylnonadec-1-en-4-amine;hydrochloride (CID 175129855) is 3,3-dimethylnonadec-1-en-4-amine;hydrochloride.
What is the SMILES notation for 3,3-dimethylnonadec-1-en-4-amine;hydrochloride?
The canonical SMILES for 3,3-dimethylnonadec-1-en-4-amine;hydrochloride is C=CC(C)(C)C(N)CCCCCCCCCCCCCCC.Cl.
What is the InChIKey of 3,3-dimethylnonadec-1-en-4-amine;hydrochloride?
The InChIKey is RALJECBQUQCKPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H43N.ClH/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20(22)21(3,4)6-2;/h6,20H,2,5,7-19,22H2,1,3-4H3;1H.
What are the key properties of 3,3-dimethylnonadec-1-en-4-amine;hydrochloride?
3,3-dimethylnonadec-1-en-4-amine;hydrochloride has a molecular weight of 346.04 g/mol, XLogP of 7.43, 16 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethylnonadec-1-en-4-amine;hydrochloride is sourced from PubChem (CID 175129855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).