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

C17H36ClN — CID 175151339

IUPAC4,4-dimethylpentadec-1-en-3-amine;hydrochloride
SMILESC=CC(N)C(C)(C)CCCCCCCCCCC.Cl
InChIInChI=1S/C17H35N.ClH/c1-5-7-8-9-10-11-12-13-14-15-17(3,4)16(18)6-2;/h6,16H,2,5,7-15,18H2,1,3-4H3;1H
InChIKeyHHYWAMTUQAZQSF-UHFFFAOYSA-N
MW289.94 g/mol
LogP5.87
Rot. Bonds12

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

4,4-dimethylpentadec-1-en-3-amine;hydrochloride (PubChem CID 175151339) has the molecular formula C17H36ClN and a molecular weight of 289.94 g/mol. Its IUPAC name is 4,4-dimethylpentadec-1-en-3-amine;hydrochloride.

Molecular Properties

Compound Name4,4-dimethylpentadec-1-en-3-amine;hydrochloride
PubChem CID175151339
Molecular FormulaC17H36ClN
Molecular Weight289.94 g/mol
Exact Mass289.25
IUPAC Name4,4-dimethylpentadec-1-en-3-amine;hydrochloride
SMILESC=CC(N)C(C)(C)CCCCCCCCCCC.Cl
InChIInChI=1S/C17H35N.ClH/c1-5-7-8-9-10-11-12-13-14-15-17(3,4)16(18)6-2;/h6,16H,2,5,7-15,18H2,1,3-4H3;1H
InChIKeyHHYWAMTUQAZQSF-UHFFFAOYSA-N
XLogP5.87
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.94
LogP ≤ 55.87
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

4,4-dimethylnonadec-1-en-3-amine;hydrochloride
CID 174996195
4,4-dimethyltricos-1-en-3-amine
CID 175148095
4,4-dimethylhenicos-1-en-3-amine;hydrobromide
CID 175140594
1-(4-ethenylphenyl)-2,2-dimethyltridecan-1-amine;hydrochloride
CID 173016471
2,3,3-trimethyloctadecane
CID 90966938
3,3-dimethylnonadec-1-en-4-amine;hydrochloride
CID 175129855
2-methyltricosan-2-amine;hydrochloride
CID 146444056
2-methylpentacosan-2-amine;hydrochloride
CID 173079320
3,3-dimethylnonan-2-ol
CID 19931299
11-(2-methylheptan-2-yl)docosane
CID 57252514
3,3-dimethyldecan-2-ol
CID 87975868
azane;4,4-dimethylhenicos-1-ene;hydrochloride
CID 174854097

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethylpentadec-1-en-3-amine;hydrochloride?
The IUPAC name of 4,4-dimethylpentadec-1-en-3-amine;hydrochloride (CID 175151339) is 4,4-dimethylpentadec-1-en-3-amine;hydrochloride.
What is the SMILES notation for 4,4-dimethylpentadec-1-en-3-amine;hydrochloride?
The canonical SMILES for 4,4-dimethylpentadec-1-en-3-amine;hydrochloride is C=CC(N)C(C)(C)CCCCCCCCCCC.Cl.
What is the InChIKey of 4,4-dimethylpentadec-1-en-3-amine;hydrochloride?
The InChIKey is HHYWAMTUQAZQSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N.ClH/c1-5-7-8-9-10-11-12-13-14-15-17(3,4)16(18)6-2;/h6,16H,2,5,7-15,18H2,1,3-4H3;1H.
What are the key properties of 4,4-dimethylpentadec-1-en-3-amine;hydrochloride?
4,4-dimethylpentadec-1-en-3-amine;hydrochloride has a molecular weight of 289.94 g/mol, XLogP of 5.87, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethylpentadec-1-en-3-amine;hydrochloride is sourced from PubChem (CID 175151339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).