1-cyclopropylbut-3-en-1-amine;hydrochloride

C7H14ClN — CID 75598870

IUPAC1-cyclopropylbut-3-en-1-amine;hydrochloride
SMILESC=CCC(N)C1CC1.Cl
InChIInChI=1S/C7H13N.ClH/c1-2-3-7(8)6-4-5-6;/h2,6-7H,1,3-5,8H2;1H
InChIKeyHSORIBNHJPPXCE-UHFFFAOYSA-N
MW147.65 g/mol
LogP1.72
Rot. Bonds3

About 1-cyclopropylbut-3-en-1-amine;hydrochloride

1-cyclopropylbut-3-en-1-amine;hydrochloride (PubChem CID 75598870) has the molecular formula C7H14ClN and a molecular weight of 147.65 g/mol. Its IUPAC name is 1-cyclopropylbut-3-en-1-amine;hydrochloride.

Molecular Properties

Compound Name1-cyclopropylbut-3-en-1-amine;hydrochloride
PubChem CID75598870
Molecular FormulaC7H14ClN
Molecular Weight147.65 g/mol
Exact Mass147.08
IUPAC Name1-cyclopropylbut-3-en-1-amine;hydrochloride
SMILESC=CCC(N)C1CC1.Cl
InChIInChI=1S/C7H13N.ClH/c1-2-3-7(8)6-4-5-6;/h2,6-7H,1,3-5,8H2;1H
InChIKeyHSORIBNHJPPXCE-UHFFFAOYSA-N
XLogP1.72
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.65
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-Cyclopropylprop-2-en-1-amine hydrochloride
CID 137935089
2-Methylhept-6-en-3-amine
CID 55284076
(3S)-2-methylhept-6-en-3-amine
CID 130038442
1-Cyclopropylprop-2-en-1-amine
CID 21806652
1-(2,2-Difluorocyclopropyl)but-3-en-1-amine
CID 167047150
(3S)-5-methylhex-1-en-3-amine
CID 10080369
1-Cyclopropylbut-3-en-1-amine
CID 11804705
5-Methylhex-1-en-3-amine hydrochloride
CID 18784951
5-Methylhex-1-en-3-amine
CID 18784952
(S)-1-Cyclopropylbut-3-enylamine hydrochloride
CID 50999330
(4S)-6-methylhept-1-en-4-amine
CID 55284878
(1R)-1-cyclopropylprop-2-en-1-amine
CID 55293662

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropylbut-3-en-1-amine;hydrochloride?
The IUPAC name of 1-cyclopropylbut-3-en-1-amine;hydrochloride (CID 75598870) is 1-cyclopropylbut-3-en-1-amine;hydrochloride.
What is the SMILES notation for 1-cyclopropylbut-3-en-1-amine;hydrochloride?
The canonical SMILES for 1-cyclopropylbut-3-en-1-amine;hydrochloride is C=CCC(N)C1CC1.Cl.
What is the InChIKey of 1-cyclopropylbut-3-en-1-amine;hydrochloride?
The InChIKey is HSORIBNHJPPXCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N.ClH/c1-2-3-7(8)6-4-5-6;/h2,6-7H,1,3-5,8H2;1H.
What are the key properties of 1-cyclopropylbut-3-en-1-amine;hydrochloride?
1-cyclopropylbut-3-en-1-amine;hydrochloride has a molecular weight of 147.65 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropylbut-3-en-1-amine;hydrochloride is sourced from PubChem (CID 75598870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).