(E)-N,N-dimethylpent-2-en-1-amine;hydrochloride

C7H16ClN — CID 155386408

IUPAC(E)-N,N-dimethylpent-2-en-1-amine;hydrochloride
SMILESCC/C=C/CN(C)C.Cl
InChIInChI=1S/C7H15N.ClH/c1-4-5-6-7-8(2)3;/h5-6H,4,7H2,1-3H3;1H/b6-5+;
InChIKeyALLCSPRSVWEZJG-IPZCTEOASA-N
MW149.66 g/mol
LogP1.94
Rot. Bonds3

About (E)-N,N-dimethylpent-2-en-1-amine;hydrochloride

(E)-N,N-dimethylpent-2-en-1-amine;hydrochloride (PubChem CID 155386408) has the molecular formula C7H16ClN and a molecular weight of 149.66 g/mol. Its IUPAC name is (E)-N,N-dimethylpent-2-en-1-amine;hydrochloride.

Molecular Properties

Compound Name(E)-N,N-dimethylpent-2-en-1-amine;hydrochloride
PubChem CID155386408
Molecular FormulaC7H16ClN
Molecular Weight149.66 g/mol
Exact Mass149.10
IUPAC Name(E)-N,N-dimethylpent-2-en-1-amine;hydrochloride
SMILESCC/C=C/CN(C)C.Cl
InChIInChI=1S/C7H15N.ClH/c1-4-5-6-7-8(2)3;/h5-6H,4,7H2,1-3H3;1H/b6-5+;
InChIKeyALLCSPRSVWEZJG-IPZCTEOASA-N
XLogP1.94
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.66
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

hex-3-ene;hydrochloride
CID 159012047
bromomethane;(2Z,4Z)-N,N-dimethylhepta-2,4-dien-1-amine
CID 142309153
(Z)-N-ethyl-N-methylpent-2-en-1-amine
CID 90249214
N,N-dimethyltricos-2-en-1-amine;hydrochloride
CID 175358595
N,N-dimethylhenicos-2-en-1-amine;hydrochloride
CID 175055177
(Z)-N,N-diethylpent-2-en-1-amine
CID 5365213
hex-3-ene;sulfane
CID 174453265
2-[methyl-[(Z)-pent-2-enyl]amino]ethanol
CID 90058860
N,N-dimethyl-3-trimethylsilylprop-2-en-1-amine;hydrochloride
CID 175180084
5-(dimethylamino)pent-3-enal
CID 174058957
3-(dimethylamino)prop-1-en-1-ol
CID 173098720
(E)-N,N,N',N'-tetramethylprop-1-ene-1,3-diamine
CID 6444340

Frequently Asked Questions

What is the IUPAC name of (E)-N,N-dimethylpent-2-en-1-amine;hydrochloride?
The IUPAC name of (E)-N,N-dimethylpent-2-en-1-amine;hydrochloride (CID 155386408) is (E)-N,N-dimethylpent-2-en-1-amine;hydrochloride.
What is the SMILES notation for (E)-N,N-dimethylpent-2-en-1-amine;hydrochloride?
The canonical SMILES for (E)-N,N-dimethylpent-2-en-1-amine;hydrochloride is CC/C=C/CN(C)C.Cl.
What is the InChIKey of (E)-N,N-dimethylpent-2-en-1-amine;hydrochloride?
The InChIKey is ALLCSPRSVWEZJG-IPZCTEOASA-N. The full InChI is InChI=1S/C7H15N.ClH/c1-4-5-6-7-8(2)3;/h5-6H,4,7H2,1-3H3;1H/b6-5+;.
What are the key properties of (E)-N,N-dimethylpent-2-en-1-amine;hydrochloride?
(E)-N,N-dimethylpent-2-en-1-amine;hydrochloride has a molecular weight of 149.66 g/mol, XLogP of 1.94, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N-dimethylpent-2-en-1-amine;hydrochloride is sourced from PubChem (CID 155386408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).