2,2-dimethylpent-4-en-1-amine;hydrochloride

C7H16ClN — CID 71742514

IUPAC2,2-dimethylpent-4-en-1-amine;hydrochloride
SMILESC=CCC(C)(C)CN.Cl
InChIInChI=1S/C7H15N.ClH/c1-4-5-7(2,3)6-8;/h4H,1,5-6,8H2,2-3H3;1H
InChIKeyLBWDDHGTQWHAPI-UHFFFAOYSA-N
MW149.66 g/mol
LogP1.97
Rot. Bonds3

About 2,2-dimethylpent-4-en-1-amine;hydrochloride

2,2-dimethylpent-4-en-1-amine;hydrochloride (PubChem CID 71742514) has the molecular formula C7H16ClN and a molecular weight of 149.66 g/mol. Its IUPAC name is 2,2-dimethylpent-4-en-1-amine;hydrochloride.

Molecular Properties

Compound Name2,2-dimethylpent-4-en-1-amine;hydrochloride
PubChem CID71742514
Molecular FormulaC7H16ClN
Molecular Weight149.66 g/mol
Exact Mass149.10
IUPAC Name2,2-dimethylpent-4-en-1-amine;hydrochloride
SMILESC=CCC(C)(C)CN.Cl
InChIInChI=1S/C7H15N.ClH/c1-4-5-7(2,3)6-8;/h4H,1,5-6,8H2,2-3H3;1H
InChIKeyLBWDDHGTQWHAPI-UHFFFAOYSA-N
XLogP1.97
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.66
LogP ≤ 51.97
H-Bond Donors ≤ 51
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 2,2-dimethylpent-4-en-1-amine;hydrochloride?
The IUPAC name of 2,2-dimethylpent-4-en-1-amine;hydrochloride (CID 71742514) is 2,2-dimethylpent-4-en-1-amine;hydrochloride.
What is the SMILES notation for 2,2-dimethylpent-4-en-1-amine;hydrochloride?
The canonical SMILES for 2,2-dimethylpent-4-en-1-amine;hydrochloride is C=CCC(C)(C)CN.Cl.
What is the InChIKey of 2,2-dimethylpent-4-en-1-amine;hydrochloride?
The InChIKey is LBWDDHGTQWHAPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N.ClH/c1-4-5-7(2,3)6-8;/h4H,1,5-6,8H2,2-3H3;1H.
What are the key properties of 2,2-dimethylpent-4-en-1-amine;hydrochloride?
2,2-dimethylpent-4-en-1-amine;hydrochloride has a molecular weight of 149.66 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpent-4-en-1-amine;hydrochloride is sourced from PubChem (CID 71742514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).