N,2-dimethylpent-4-en-1-imine;hydrochloride

C7H14ClN — CID 143798119

IUPACN,2-dimethylpent-4-en-1-imine;hydrochloride
SMILESC=CCC(C)/C=N/C.Cl
InChIInChI=1S/C7H13N.ClH/c1-4-5-7(2)6-8-3;/h4,6-7H,1,5H2,2-3H3;1H/b8-6+;
InChIKeyYQUTWBNOZVKNHK-WVLIHFOGSA-N
MW147.65 g/mol
LogP2.32
Rot. Bonds3

About N,2-dimethylpent-4-en-1-imine;hydrochloride

N,2-dimethylpent-4-en-1-imine;hydrochloride (PubChem CID 143798119) has the molecular formula C7H14ClN and a molecular weight of 147.65 g/mol. Its IUPAC name is N,2-dimethylpent-4-en-1-imine;hydrochloride.

Molecular Properties

Compound NameN,2-dimethylpent-4-en-1-imine;hydrochloride
PubChem CID143798119
Molecular FormulaC7H14ClN
Molecular Weight147.65 g/mol
Exact Mass147.08
IUPAC NameN,2-dimethylpent-4-en-1-imine;hydrochloride
SMILESC=CCC(C)/C=N/C.Cl
InChIInChI=1S/C7H13N.ClH/c1-4-5-7(2)6-8-3;/h4,6-7H,1,5H2,2-3H3;1H/b8-6+;
InChIKeyYQUTWBNOZVKNHK-WVLIHFOGSA-N
XLogP2.32
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.65
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(1E)-N-(2-Methylpropyl)pent-4-en-1-imine
CID 13402840
Allyl-(2-methyl-pent-4-enylidene)-amine
CID 13443029
4-Methyl-3,4-dihydropyridine
CID 14979260
3-Methyl-3,4-dihydropyridine
CID 14979268
N-methylbut-3-en-1-imine
CID 18423567
3,4-Dimethyl-3,4-dihydropyridine
CID 22965950
N-but-3-enylpropan-1-imine
CID 56989950
(3S)-3-methyl-3,4-dihydropyridine
CID 59014450
3-propan-2-yl-3H-pyrrole
CID 59104305
(3R,4R)-3,4-dimethyl-3,4-dihydropyridine
CID 59584680
6-methyl-5,6-dihydro-2H-azepine
CID 68099614
5-methyl-5,6-dihydro-2H-azepine
CID 68099637

Frequently Asked Questions

What is the IUPAC name of N,2-dimethylpent-4-en-1-imine;hydrochloride?
The IUPAC name of N,2-dimethylpent-4-en-1-imine;hydrochloride (CID 143798119) is N,2-dimethylpent-4-en-1-imine;hydrochloride.
What is the SMILES notation for N,2-dimethylpent-4-en-1-imine;hydrochloride?
The canonical SMILES for N,2-dimethylpent-4-en-1-imine;hydrochloride is C=CCC(C)/C=N/C.Cl.
What is the InChIKey of N,2-dimethylpent-4-en-1-imine;hydrochloride?
The InChIKey is YQUTWBNOZVKNHK-WVLIHFOGSA-N. The full InChI is InChI=1S/C7H13N.ClH/c1-4-5-7(2)6-8-3;/h4,6-7H,1,5H2,2-3H3;1H/b8-6+;.
What are the key properties of N,2-dimethylpent-4-en-1-imine;hydrochloride?
N,2-dimethylpent-4-en-1-imine;hydrochloride has a molecular weight of 147.65 g/mol, XLogP of 2.32, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethylpent-4-en-1-imine;hydrochloride is sourced from PubChem (CID 143798119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).