(E)-N,N-dimethylpent-3-en-2-amine;hydrochloride

C7H16ClN — CID 155225928

IUPAC(E)-N,N-dimethylpent-3-en-2-amine;hydrochloride
SMILESC/C=C/C(C)N(C)C.Cl
InChIInChI=1S/C7H15N.ClH/c1-5-6-7(2)8(3)4;/h5-7H,1-4H3;1H/b6-5+;
InChIKeyWINOBIRRRSPMPM-IPZCTEOASA-N
MW149.66 g/mol
LogP1.93
Rot. Bonds2

About (E)-N,N-dimethylpent-3-en-2-amine;hydrochloride

(E)-N,N-dimethylpent-3-en-2-amine;hydrochloride (PubChem CID 155225928) has the molecular formula C7H16ClN and a molecular weight of 149.66 g/mol. Its IUPAC name is (E)-N,N-dimethylpent-3-en-2-amine;hydrochloride.

Molecular Properties

Compound Name(E)-N,N-dimethylpent-3-en-2-amine;hydrochloride
PubChem CID155225928
Molecular FormulaC7H16ClN
Molecular Weight149.66 g/mol
Exact Mass149.10
IUPAC Name(E)-N,N-dimethylpent-3-en-2-amine;hydrochloride
SMILESC/C=C/C(C)N(C)C.Cl
InChIInChI=1S/C7H15N.ClH/c1-5-6-7(2)8(3)4;/h5-7H,1-4H3;1H/b6-5+;
InChIKeyWINOBIRRRSPMPM-IPZCTEOASA-N
XLogP1.93
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.66
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N,N-dimethylpent-3-en-2-amine;hydrochloride?
The IUPAC name of (E)-N,N-dimethylpent-3-en-2-amine;hydrochloride (CID 155225928) is (E)-N,N-dimethylpent-3-en-2-amine;hydrochloride.
What is the SMILES notation for (E)-N,N-dimethylpent-3-en-2-amine;hydrochloride?
The canonical SMILES for (E)-N,N-dimethylpent-3-en-2-amine;hydrochloride is C/C=C/C(C)N(C)C.Cl.
What is the InChIKey of (E)-N,N-dimethylpent-3-en-2-amine;hydrochloride?
The InChIKey is WINOBIRRRSPMPM-IPZCTEOASA-N. The full InChI is InChI=1S/C7H15N.ClH/c1-5-6-7(2)8(3)4;/h5-7H,1-4H3;1H/b6-5+;.
What are the key properties of (E)-N,N-dimethylpent-3-en-2-amine;hydrochloride?
(E)-N,N-dimethylpent-3-en-2-amine;hydrochloride has a molecular weight of 149.66 g/mol, XLogP of 1.93, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N-dimethylpent-3-en-2-amine;hydrochloride is sourced from PubChem (CID 155225928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).