2-(cyclohexylamino)-2-(3-cyclopropylphenyl)acetonitrile

C17H22N2 — CID 79984503

IUPAC2-(cyclohexylamino)-2-(3-cyclopropylphenyl)acetonitrile
SMILESN#CC(NC1CCCCC1)c1cccc(C2CC2)c1
InChIInChI=1S/C17H22N2/c18-12-17(19-16-7-2-1-3-8-16)15-6-4-5-14(11-15)13-9-10-13/h4-6,11,13,16-17,19H,1-3,7-10H2
InChIKeyQPRUIHHWSJOJMC-UHFFFAOYSA-N
MW254.38 g/mol
LogP4.05
Rot. Bonds4

About 2-(cyclohexylamino)-2-(3-cyclopropylphenyl)acetonitrile

2-(cyclohexylamino)-2-(3-cyclopropylphenyl)acetonitrile (PubChem CID 79984503) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is 2-(cyclohexylamino)-2-(3-cyclopropylphenyl)acetonitrile.

Molecular Properties

Compound Name2-(cyclohexylamino)-2-(3-cyclopropylphenyl)acetonitrile
PubChem CID79984503
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC Name2-(cyclohexylamino)-2-(3-cyclopropylphenyl)acetonitrile
SMILESN#CC(NC1CCCCC1)c1cccc(C2CC2)c1
InChIInChI=1S/C17H22N2/c18-12-17(19-16-7-2-1-3-8-16)15-6-4-5-14(11-15)13-9-10-13/h4-6,11,13,16-17,19H,1-3,7-10H2
InChIKeyQPRUIHHWSJOJMC-UHFFFAOYSA-N
XLogP4.05
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylamino)-2-(3-cyclopropylphenyl)acetonitrile?
The IUPAC name of 2-(cyclohexylamino)-2-(3-cyclopropylphenyl)acetonitrile (CID 79984503) is 2-(cyclohexylamino)-2-(3-cyclopropylphenyl)acetonitrile.
What is the SMILES notation for 2-(cyclohexylamino)-2-(3-cyclopropylphenyl)acetonitrile?
The canonical SMILES for 2-(cyclohexylamino)-2-(3-cyclopropylphenyl)acetonitrile is N#CC(NC1CCCCC1)c1cccc(C2CC2)c1.
What is the InChIKey of 2-(cyclohexylamino)-2-(3-cyclopropylphenyl)acetonitrile?
The InChIKey is QPRUIHHWSJOJMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c18-12-17(19-16-7-2-1-3-8-16)15-6-4-5-14(11-15)13-9-10-13/h4-6,11,13,16-17,19H,1-3,7-10H2.
What are the key properties of 2-(cyclohexylamino)-2-(3-cyclopropylphenyl)acetonitrile?
2-(cyclohexylamino)-2-(3-cyclopropylphenyl)acetonitrile has a molecular weight of 254.38 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylamino)-2-(3-cyclopropylphenyl)acetonitrile is sourced from PubChem (CID 79984503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).