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

C23H48ClN — CID 175055177

IUPACN,N-dimethylhenicos-2-en-1-amine;hydrochloride
SMILESCCCCCCCCCCCCCCCCCCC=CCN(C)C.Cl
InChIInChI=1S/C23H47N.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(2)3;/h21-22H,4-20,23H2,1-3H3;1H
InChIKeyQISPRAZUTHYQTK-UHFFFAOYSA-N
MW374.10 g/mol
LogP8.18
Rot. Bonds19

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

N,N-dimethylhenicos-2-en-1-amine;hydrochloride (PubChem CID 175055177) has the molecular formula C23H48ClN and a molecular weight of 374.10 g/mol. Its IUPAC name is N,N-dimethylhenicos-2-en-1-amine;hydrochloride.

Molecular Properties

Compound NameN,N-dimethylhenicos-2-en-1-amine;hydrochloride
PubChem CID175055177
Molecular FormulaC23H48ClN
Molecular Weight374.10 g/mol
Exact Mass373.35
IUPAC NameN,N-dimethylhenicos-2-en-1-amine;hydrochloride
SMILESCCCCCCCCCCCCCCCCCCC=CCN(C)C.Cl
InChIInChI=1S/C23H47N.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(2)3;/h21-22H,4-20,23H2,1-3H3;1H
InChIKeyQISPRAZUTHYQTK-UHFFFAOYSA-N
XLogP8.18
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds19
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.10
LogP ≤ 58.18
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-dimethyltricos-2-en-1-amine;hydrochloride
CID 175358595
N,N-dimethylheptadec-3-en-1-amine;hydrochloride
CID 173393546
N,N-diethylpentadec-2-en-1-amine;hydrochloride
CID 175142183
(E)-nonacos-10-ene
CID 14367300
nonacos-6-ene
CID 25200821
(Z)-docos-9-ene
CID 11690102
(E)-hexacos-10-ene
CID 22172169
(E)-hexadec-6-ene
CID 5352260
triacont-12-ene
CID 54535715
(Z)-octadec-6-ene
CID 5352239
(24Z)-hexatriaconta-9,24-diene
CID 173127472
(Z)-heptacos-11-ene
CID 56936074

Frequently Asked Questions

What is the IUPAC name of N,N-dimethylhenicos-2-en-1-amine;hydrochloride?
The IUPAC name of N,N-dimethylhenicos-2-en-1-amine;hydrochloride (CID 175055177) is N,N-dimethylhenicos-2-en-1-amine;hydrochloride.
What is the SMILES notation for N,N-dimethylhenicos-2-en-1-amine;hydrochloride?
The canonical SMILES for N,N-dimethylhenicos-2-en-1-amine;hydrochloride is CCCCCCCCCCCCCCCCCCC=CCN(C)C.Cl.
What is the InChIKey of N,N-dimethylhenicos-2-en-1-amine;hydrochloride?
The InChIKey is QISPRAZUTHYQTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H47N.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(2)3;/h21-22H,4-20,23H2,1-3H3;1H.
What are the key properties of N,N-dimethylhenicos-2-en-1-amine;hydrochloride?
N,N-dimethylhenicos-2-en-1-amine;hydrochloride has a molecular weight of 374.10 g/mol, XLogP of 8.18, 19 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylhenicos-2-en-1-amine;hydrochloride is sourced from PubChem (CID 175055177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).