3-[(1R)-1-amino-2-cyclopropylethyl]benzonitrile;hydrochloride

C12H15ClN2 — CID 171201432

IUPAC3-[(1R)-1-amino-2-cyclopropylethyl]benzonitrile;hydrochloride
SMILESCl.N#Cc1cccc([C@H](N)CC2CC2)c1
InChIInChI=1S/C12H14N2.ClH/c13-8-10-2-1-3-11(6-10)12(14)7-9-4-5-9;/h1-3,6,9,12H,4-5,7,14H2;1H/t12-;/m1./s1
InChIKeyNWDPWXTWMDUGET-UTONKHPSSA-N
MW222.72 g/mol
LogP2.78
Rot. Bonds3

About 3-[(1R)-1-amino-2-cyclopropylethyl]benzonitrile;hydrochloride

3-[(1R)-1-amino-2-cyclopropylethyl]benzonitrile;hydrochloride (PubChem CID 171201432) has the molecular formula C12H15ClN2 and a molecular weight of 222.72 g/mol. Its IUPAC name is 3-[(1R)-1-amino-2-cyclopropylethyl]benzonitrile;hydrochloride.

Molecular Properties

Compound Name3-[(1R)-1-amino-2-cyclopropylethyl]benzonitrile;hydrochloride
PubChem CID171201432
Molecular FormulaC12H15ClN2
Molecular Weight222.72 g/mol
Exact Mass222.09
IUPAC Name3-[(1R)-1-amino-2-cyclopropylethyl]benzonitrile;hydrochloride
SMILESCl.N#Cc1cccc([C@H](N)CC2CC2)c1
InChIInChI=1S/C12H14N2.ClH/c13-8-10-2-1-3-11(6-10)12(14)7-9-4-5-9;/h1-3,6,9,12H,4-5,7,14H2;1H/t12-;/m1./s1
InChIKeyNWDPWXTWMDUGET-UTONKHPSSA-N
XLogP2.78
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.72
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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3-[(1S)-1-amino-3-methylbutyl]benzonitrile
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3-(1-amino-2-trimethylsilylethyl)benzonitrile
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3-[(1R)-1-amino-2-phenylethyl]benzonitrile
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CID 55295548
(1R)-2-cyclopropyl-1-(3-phenoxyphenyl)ethanamine
CID 171200529
3-[(1R)-1-amino-3-methylbut-3-enyl]benzonitrile
CID 130942039
3-[(1R)-2-amino-1-hydroxyethyl]benzonitrile;hydrochloride
CID 91662955
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Frequently Asked Questions

What is the IUPAC name of 3-[(1R)-1-amino-2-cyclopropylethyl]benzonitrile;hydrochloride?
The IUPAC name of 3-[(1R)-1-amino-2-cyclopropylethyl]benzonitrile;hydrochloride (CID 171201432) is 3-[(1R)-1-amino-2-cyclopropylethyl]benzonitrile;hydrochloride.
What is the SMILES notation for 3-[(1R)-1-amino-2-cyclopropylethyl]benzonitrile;hydrochloride?
The canonical SMILES for 3-[(1R)-1-amino-2-cyclopropylethyl]benzonitrile;hydrochloride is Cl.N#Cc1cccc([C@H](N)CC2CC2)c1.
What is the InChIKey of 3-[(1R)-1-amino-2-cyclopropylethyl]benzonitrile;hydrochloride?
The InChIKey is NWDPWXTWMDUGET-UTONKHPSSA-N. The full InChI is InChI=1S/C12H14N2.ClH/c13-8-10-2-1-3-11(6-10)12(14)7-9-4-5-9;/h1-3,6,9,12H,4-5,7,14H2;1H/t12-;/m1./s1.
What are the key properties of 3-[(1R)-1-amino-2-cyclopropylethyl]benzonitrile;hydrochloride?
3-[(1R)-1-amino-2-cyclopropylethyl]benzonitrile;hydrochloride has a molecular weight of 222.72 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R)-1-amino-2-cyclopropylethyl]benzonitrile;hydrochloride is sourced from PubChem (CID 171201432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).