N,N-diethylpentadec-2-en-1-amine;hydrochloride

C19H40ClN — CID 175142183

IUPACN,N-diethylpentadec-2-en-1-amine;hydrochloride
SMILESCCCCCCCCCCCCC=CCN(CC)CC.Cl
InChIInChI=1S/C19H39N.ClH/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20(5-2)6-3;/h17-18H,4-16,19H2,1-3H3;1H
InChIKeyNYMBGBOSCJEECS-UHFFFAOYSA-N
MW317.99 g/mol
LogP6.62
Rot. Bonds15

About N,N-diethylpentadec-2-en-1-amine;hydrochloride

N,N-diethylpentadec-2-en-1-amine;hydrochloride (PubChem CID 175142183) has the molecular formula C19H40ClN and a molecular weight of 317.99 g/mol. Its IUPAC name is N,N-diethylpentadec-2-en-1-amine;hydrochloride.

Molecular Properties

Compound NameN,N-diethylpentadec-2-en-1-amine;hydrochloride
PubChem CID175142183
Molecular FormulaC19H40ClN
Molecular Weight317.99 g/mol
Exact Mass317.28
IUPAC NameN,N-diethylpentadec-2-en-1-amine;hydrochloride
SMILESCCCCCCCCCCCCC=CCN(CC)CC.Cl
InChIInChI=1S/C19H39N.ClH/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20(5-2)6-3;/h17-18H,4-16,19H2,1-3H3;1H
InChIKeyNYMBGBOSCJEECS-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

N,N-diethylundec-2-en-1-amine
CID 71429038
N,N-diethyloct-2-en-1-amine;hydrate
CID 173438952
(E)-N,N-diethylheptadec-9-en-1-amine
CID 102116407
N,N-dimethyltricos-2-en-1-amine;hydrochloride
CID 175358595
N,N-dimethylhenicos-2-en-1-amine;hydrochloride
CID 175055177
(E)-N,N-diethylheptadec-4-en-1-amine
CID 102116402
triacont-12-ene
CID 54535715
(Z)-octadec-6-ene
CID 5352239
(E)-hexadec-6-ene
CID 5352260
(E)-hexacos-10-ene
CID 22172169
(Z)-heptacos-11-ene
CID 56936074
(E)-nonacos-10-ene
CID 14367300

Frequently Asked Questions

What is the IUPAC name of N,N-diethylpentadec-2-en-1-amine;hydrochloride?
The IUPAC name of N,N-diethylpentadec-2-en-1-amine;hydrochloride (CID 175142183) is N,N-diethylpentadec-2-en-1-amine;hydrochloride.
What is the SMILES notation for N,N-diethylpentadec-2-en-1-amine;hydrochloride?
The canonical SMILES for N,N-diethylpentadec-2-en-1-amine;hydrochloride is CCCCCCCCCCCCC=CCN(CC)CC.Cl.
What is the InChIKey of N,N-diethylpentadec-2-en-1-amine;hydrochloride?
The InChIKey is NYMBGBOSCJEECS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39N.ClH/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20(5-2)6-3;/h17-18H,4-16,19H2,1-3H3;1H.
What are the key properties of N,N-diethylpentadec-2-en-1-amine;hydrochloride?
N,N-diethylpentadec-2-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-diethylpentadec-2-en-1-amine;hydrochloride is sourced from PubChem (CID 175142183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).