2-(cyclopentylamino)-2-(3,4-dichlorophenyl)acetonitrile

C13H14Cl2N2 — CID 54894364

IUPAC2-(cyclopentylamino)-2-(3,4-dichlorophenyl)acetonitrile
SMILESN#CC(NC1CCCC1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H14Cl2N2/c14-11-6-5-9(7-12(11)15)13(8-16)17-10-3-1-2-4-10/h5-7,10,13,17H,1-4H2
InChIKeyNGFBDAPQCXWJAD-UHFFFAOYSA-N
MW269.18 g/mol
LogP4.09
Rot. Bonds3

About 2-(cyclopentylamino)-2-(3,4-dichlorophenyl)acetonitrile

2-(cyclopentylamino)-2-(3,4-dichlorophenyl)acetonitrile (PubChem CID 54894364) has the molecular formula C13H14Cl2N2 and a molecular weight of 269.18 g/mol. Its IUPAC name is 2-(cyclopentylamino)-2-(3,4-dichlorophenyl)acetonitrile.

Molecular Properties

Compound Name2-(cyclopentylamino)-2-(3,4-dichlorophenyl)acetonitrile
PubChem CID54894364
Molecular FormulaC13H14Cl2N2
Molecular Weight269.18 g/mol
Exact Mass268.05
IUPAC Name2-(cyclopentylamino)-2-(3,4-dichlorophenyl)acetonitrile
SMILESN#CC(NC1CCCC1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H14Cl2N2/c14-11-6-5-9(7-12(11)15)13(8-16)17-10-3-1-2-4-10/h5-7,10,13,17H,1-4H2
InChIKeyNGFBDAPQCXWJAD-UHFFFAOYSA-N
XLogP4.09
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.18
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cyclohexylamino)-2-(3,4-dimethylphenyl)acetonitrile
CID 54894335
2-(cyclopentylamino)-2-(4-fluoro-3-methylphenyl)acetonitrile
CID 62119933
2-(1,3-benzodioxol-5-yl)-2-(cyclopentylamino)acetonitrile
CID 62670734
N-[1-(3,4-dichlorophenyl)ethyl]cyclohexanamine
CID 43078885
2-(1,3-benzodioxol-5-yl)-2-(cycloheptylamino)acetonitrile
CID 62670899
(2S)-2-(3,4-dichlorophenyl)-2-(methylamino)acetonitrile
CID 28899008
2-(cyclohexylamino)-2-(3-cyclopropylphenyl)acetonitrile
CID 79984503
2-(cyclohexylamino)-2-(4-methoxy-3-methylphenyl)acetonitrile
CID 62132442
2-(cyclopentylamino)-2-(3-fluoro-4-methoxyphenyl)acetonitrile
CID 65096678
2-(cyclopropylamino)-2-(3,4-dimethylphenyl)acetonitrile
CID 43753552
N-cycloheptyl-1-(3,4-dichlorophenyl)ethane-1,2-diamine
CID 65381340
2-(cyclohexylamino)-2-(2,3-dihydro-1-benzofuran-5-yl)acetonitrile
CID 54894336

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylamino)-2-(3,4-dichlorophenyl)acetonitrile?
The IUPAC name of 2-(cyclopentylamino)-2-(3,4-dichlorophenyl)acetonitrile (CID 54894364) is 2-(cyclopentylamino)-2-(3,4-dichlorophenyl)acetonitrile.
What is the SMILES notation for 2-(cyclopentylamino)-2-(3,4-dichlorophenyl)acetonitrile?
The canonical SMILES for 2-(cyclopentylamino)-2-(3,4-dichlorophenyl)acetonitrile is N#CC(NC1CCCC1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(cyclopentylamino)-2-(3,4-dichlorophenyl)acetonitrile?
The InChIKey is NGFBDAPQCXWJAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N2/c14-11-6-5-9(7-12(11)15)13(8-16)17-10-3-1-2-4-10/h5-7,10,13,17H,1-4H2.
What are the key properties of 2-(cyclopentylamino)-2-(3,4-dichlorophenyl)acetonitrile?
2-(cyclopentylamino)-2-(3,4-dichlorophenyl)acetonitrile has a molecular weight of 269.18 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylamino)-2-(3,4-dichlorophenyl)acetonitrile is sourced from PubChem (CID 54894364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).