N,N-dimethylpentadec-14-en-1-amine;hydrochloride

C17H36ClN — CID 170844214

IUPACN,N-dimethylpentadec-14-en-1-amine;hydrochloride
SMILESC=CCCCCCCCCCCCCCN(C)C.Cl
InChIInChI=1S/C17H35N.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2)3;/h4H,1,5-17H2,2-3H3;1H
InChIKeyIDIWROJMTWPFSG-UHFFFAOYSA-N
MW289.93 g/mol
LogP5.84
Rot. Bonds14

About N,N-dimethylpentadec-14-en-1-amine;hydrochloride

N,N-dimethylpentadec-14-en-1-amine;hydrochloride (PubChem CID 170844214) has the molecular formula C17H36ClN and a molecular weight of 289.93 g/mol. Its IUPAC name is N,N-dimethylpentadec-14-en-1-amine;hydrochloride.

Molecular Properties

Compound NameN,N-dimethylpentadec-14-en-1-amine;hydrochloride
PubChem CID170844214
Molecular FormulaC17H36ClN
Molecular Weight289.93 g/mol
Exact Mass289.25
IUPAC NameN,N-dimethylpentadec-14-en-1-amine;hydrochloride
SMILESC=CCCCCCCCCCCCCCN(C)C.Cl
InChIInChI=1S/C17H35N.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2)3;/h4H,1,5-17H2,2-3H3;1H
InChIKeyIDIWROJMTWPFSG-UHFFFAOYSA-N
XLogP5.84
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.93
LogP ≤ 55.84
H-Bond Donors ≤ 50
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 N,N-dimethylpentadec-14-en-1-amine;hydrochloride?
The IUPAC name of N,N-dimethylpentadec-14-en-1-amine;hydrochloride (CID 170844214) is N,N-dimethylpentadec-14-en-1-amine;hydrochloride.
What is the SMILES notation for N,N-dimethylpentadec-14-en-1-amine;hydrochloride?
The canonical SMILES for N,N-dimethylpentadec-14-en-1-amine;hydrochloride is C=CCCCCCCCCCCCCCN(C)C.Cl.
What is the InChIKey of N,N-dimethylpentadec-14-en-1-amine;hydrochloride?
The InChIKey is IDIWROJMTWPFSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2)3;/h4H,1,5-17H2,2-3H3;1H.
What are the key properties of N,N-dimethylpentadec-14-en-1-amine;hydrochloride?
N,N-dimethylpentadec-14-en-1-amine;hydrochloride has a molecular weight of 289.93 g/mol, XLogP of 5.84, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylpentadec-14-en-1-amine;hydrochloride is sourced from PubChem (CID 170844214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).