N,N-dimethylheptadec-3-en-1-amine;hydrochloride

C19H40ClN — CID 173393546

IUPACN,N-dimethylheptadec-3-en-1-amine;hydrochloride
SMILESCCCCCCCCCCCCCC=CCCN(C)C.Cl
InChIInChI=1S/C19H39N.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2)3;/h16-17H,4-15,18-19H2,1-3H3;1H
InChIKeyOUCWVOOIAVHTQT-UHFFFAOYSA-N
MW317.99 g/mol
LogP6.62
Rot. Bonds15

About N,N-dimethylheptadec-3-en-1-amine;hydrochloride

N,N-dimethylheptadec-3-en-1-amine;hydrochloride (PubChem CID 173393546) has the molecular formula C19H40ClN and a molecular weight of 317.99 g/mol. Its IUPAC name is N,N-dimethylheptadec-3-en-1-amine;hydrochloride.

Molecular Properties

Compound NameN,N-dimethylheptadec-3-en-1-amine;hydrochloride
PubChem CID173393546
Molecular FormulaC19H40ClN
Molecular Weight317.99 g/mol
Exact Mass317.28
IUPAC NameN,N-dimethylheptadec-3-en-1-amine;hydrochloride
SMILESCCCCCCCCCCCCCC=CCCN(C)C.Cl
InChIInChI=1S/C19H39N.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2)3;/h16-17H,4-15,18-19H2,1-3H3;1H
InChIKeyOUCWVOOIAVHTQT-UHFFFAOYSA-N
XLogP6.62
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.99
LogP ≤ 56.62
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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Related Compounds

(E)-N,N-dimethylnon-3-en-1-amine
CID 13212920
(E)-N,N-dimethylhexadec-10-en-1-amine
CID 102116363
(Z)-N,N-dimethylhenicos-12-en-1-amine
CID 173308130
N,N-dimethylhexadec-7-en-1-amine
CID 3085374
N,N-dimethyltricos-2-en-1-amine;hydrochloride
CID 175358595
N,N-dimethylhenicos-2-en-1-amine;hydrochloride
CID 175055177
N,N,N'-trimethyl-N'-[(Z)-octadec-9-enyl]propane-1,3-diamine
CID 6437658
N,N-dimethyl-N'-[(E)-octadec-9-enyl]-N'-octylethane-1,2-diamine
CID 71498362
tetratriacont-8-ene
CID 123670593
(E)-icos-10-ene
CID 10468895
heptatriacont-13-ene
CID 71378710
(E)-docos-6-ene
CID 22172020

Frequently Asked Questions

What is the IUPAC name of N,N-dimethylheptadec-3-en-1-amine;hydrochloride?
The IUPAC name of N,N-dimethylheptadec-3-en-1-amine;hydrochloride (CID 173393546) is N,N-dimethylheptadec-3-en-1-amine;hydrochloride.
What is the SMILES notation for N,N-dimethylheptadec-3-en-1-amine;hydrochloride?
The canonical SMILES for N,N-dimethylheptadec-3-en-1-amine;hydrochloride is CCCCCCCCCCCCCC=CCCN(C)C.Cl.
What is the InChIKey of N,N-dimethylheptadec-3-en-1-amine;hydrochloride?
The InChIKey is OUCWVOOIAVHTQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39N.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2)3;/h16-17H,4-15,18-19H2,1-3H3;1H.
What are the key properties of N,N-dimethylheptadec-3-en-1-amine;hydrochloride?
N,N-dimethylheptadec-3-en-1-amine;hydrochloride has a molecular weight of 317.99 g/mol, XLogP of 6.62, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylheptadec-3-en-1-amine;hydrochloride is sourced from PubChem (CID 173393546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).