(1S)-1-cyclopropylbut-3-en-1-amine;hydrochloride

C7H14ClN — CID 50999328

IUPAC(1S)-1-cyclopropylbut-3-en-1-amine;hydrochloride
SMILESC=CC[C@H](N)C1CC1.Cl
InChIInChI=1S/C7H13N.ClH/c1-2-3-7(8)6-4-5-6;/h2,6-7H,1,3-5,8H2;1H/t7-;/m0./s1
InChIKeyHSORIBNHJPPXCE-FJXQXJEOSA-N
MW147.65 g/mol
LogP1.72
Rot. Bonds3

About (1S)-1-cyclopropylbut-3-en-1-amine;hydrochloride

(1S)-1-cyclopropylbut-3-en-1-amine;hydrochloride (PubChem CID 50999328) has the molecular formula C7H14ClN and a molecular weight of 147.65 g/mol. Its IUPAC name is (1S)-1-cyclopropylbut-3-en-1-amine;hydrochloride.

Molecular Properties

Compound Name(1S)-1-cyclopropylbut-3-en-1-amine;hydrochloride
PubChem CID50999328
Molecular FormulaC7H14ClN
Molecular Weight147.65 g/mol
Exact Mass147.08
IUPAC Name(1S)-1-cyclopropylbut-3-en-1-amine;hydrochloride
SMILESC=CC[C@H](N)C1CC1.Cl
InChIInChI=1S/C7H13N.ClH/c1-2-3-7(8)6-4-5-6;/h2,6-7H,1,3-5,8H2;1H/t7-;/m0./s1
InChIKeyHSORIBNHJPPXCE-FJXQXJEOSA-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-cyclooctylbut-3-en-1-amine
CID 80604015
1-(thiolan-2-yl)but-3-en-1-amine
CID 80622584
4-(1-amino-3-oxopropyl)cyclohexane-1-carbaldehyde
CID 166932348
(1R)-1-cyclopropylbutan-1-amine;hydrochloride
CID 155046187
N-(2-amino-1-cyclopropylethyl)-2-prop-2-enylpent-4-enamide;hydrochloride
CID 119613963
3-amino-3-cyclopropylpropanoic acid;hydrochloride
CID 155887796
1-(4-tert-butylcyclohexyl)but-3-enylhydrazine
CID 105232743
1,2-di(cyclobutyl)ethanamine
CID 65456758
1-[4-(1-aminoethyl)piperidin-1-yl]-2-prop-2-enylpent-4-en-1-one;hydrochloride
CID 119517747
(1S)-1,2-dicyclohexylethanamine
CID 44574818
2-aminopent-4-enenitrile;hydrochloride
CID 19438057
2-cycloheptyl-1-cyclopentylethanamine
CID 115779065

Frequently Asked Questions

What is the IUPAC name of (1S)-1-cyclopropylbut-3-en-1-amine;hydrochloride?
The IUPAC name of (1S)-1-cyclopropylbut-3-en-1-amine;hydrochloride (CID 50999328) is (1S)-1-cyclopropylbut-3-en-1-amine;hydrochloride.
What is the SMILES notation for (1S)-1-cyclopropylbut-3-en-1-amine;hydrochloride?
The canonical SMILES for (1S)-1-cyclopropylbut-3-en-1-amine;hydrochloride is C=CC[C@H](N)C1CC1.Cl.
What is the InChIKey of (1S)-1-cyclopropylbut-3-en-1-amine;hydrochloride?
The InChIKey is HSORIBNHJPPXCE-FJXQXJEOSA-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/t7-;/m0./s1.
What are the key properties of (1S)-1-cyclopropylbut-3-en-1-amine;hydrochloride?
(1S)-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 (1S)-1-cyclopropylbut-3-en-1-amine;hydrochloride is sourced from PubChem (CID 50999328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).