5-chloro-N,N-dimethylpent-1-en-3-amine;hydrochloride

C7H15Cl2N — CID 174791441

IUPAC5-chloro-N,N-dimethylpent-1-en-3-amine;hydrochloride
SMILESC=CC(CCCl)N(C)C.Cl
InChIInChI=1S/C7H14ClN.ClH/c1-4-7(5-6-8)9(2)3;/h4,7H,1,5-6H2,2-3H3;1H
InChIKeyVIAFLXPKFPYMOC-UHFFFAOYSA-N
MW184.11 g/mol
LogP2.15
Rot. Bonds4

About 5-chloro-N,N-dimethylpent-1-en-3-amine;hydrochloride

5-chloro-N,N-dimethylpent-1-en-3-amine;hydrochloride (PubChem CID 174791441) has the molecular formula C7H15Cl2N and a molecular weight of 184.11 g/mol. Its IUPAC name is 5-chloro-N,N-dimethylpent-1-en-3-amine;hydrochloride.

Molecular Properties

Compound Name5-chloro-N,N-dimethylpent-1-en-3-amine;hydrochloride
PubChem CID174791441
Molecular FormulaC7H15Cl2N
Molecular Weight184.11 g/mol
Exact Mass183.06
IUPAC Name5-chloro-N,N-dimethylpent-1-en-3-amine;hydrochloride
SMILESC=CC(CCCl)N(C)C.Cl
InChIInChI=1S/C7H14ClN.ClH/c1-4-7(5-6-8)9(2)3;/h4,7H,1,5-6H2,2-3H3;1H
InChIKeyVIAFLXPKFPYMOC-UHFFFAOYSA-N
XLogP2.15
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.11
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N,N-dimethylpent-1-en-3-amine;hydrochloride?
The IUPAC name of 5-chloro-N,N-dimethylpent-1-en-3-amine;hydrochloride (CID 174791441) is 5-chloro-N,N-dimethylpent-1-en-3-amine;hydrochloride.
What is the SMILES notation for 5-chloro-N,N-dimethylpent-1-en-3-amine;hydrochloride?
The canonical SMILES for 5-chloro-N,N-dimethylpent-1-en-3-amine;hydrochloride is C=CC(CCCl)N(C)C.Cl.
What is the InChIKey of 5-chloro-N,N-dimethylpent-1-en-3-amine;hydrochloride?
The InChIKey is VIAFLXPKFPYMOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14ClN.ClH/c1-4-7(5-6-8)9(2)3;/h4,7H,1,5-6H2,2-3H3;1H.
What are the key properties of 5-chloro-N,N-dimethylpent-1-en-3-amine;hydrochloride?
5-chloro-N,N-dimethylpent-1-en-3-amine;hydrochloride has a molecular weight of 184.11 g/mol, XLogP of 2.15, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N,N-dimethylpent-1-en-3-amine;hydrochloride is sourced from PubChem (CID 174791441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).