1-anilino-3-cyclopropylcyclohexane-1-carbonitrile

C16H20N2 — CID 64624445

IUPAC1-anilino-3-cyclopropylcyclohexane-1-carbonitrile
SMILESN#CC1(Nc2ccccc2)CCCC(C2CC2)C1
InChIInChI=1S/C16H20N2/c17-12-16(18-15-6-2-1-3-7-15)10-4-5-14(11-16)13-8-9-13/h1-3,6-7,13-14,18H,4-5,8-11H2
InChIKeySSDPSVXQTCOPOQ-UHFFFAOYSA-N
MW240.35 g/mol
LogP3.96
Rot. Bonds3

About 1-anilino-3-cyclopropylcyclohexane-1-carbonitrile

1-anilino-3-cyclopropylcyclohexane-1-carbonitrile (PubChem CID 64624445) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-anilino-3-cyclopropylcyclohexane-1-carbonitrile.

Molecular Properties

Compound Name1-anilino-3-cyclopropylcyclohexane-1-carbonitrile
PubChem CID64624445
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC Name1-anilino-3-cyclopropylcyclohexane-1-carbonitrile
SMILESN#CC1(Nc2ccccc2)CCCC(C2CC2)C1
InChIInChI=1S/C16H20N2/c17-12-16(18-15-6-2-1-3-7-15)10-4-5-14(11-16)13-8-9-13/h1-3,6-7,13-14,18H,4-5,8-11H2
InChIKeySSDPSVXQTCOPOQ-UHFFFAOYSA-N
XLogP3.96
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-anilino-3-cyclopropylcyclohexane-1-carbonitrile?
The IUPAC name of 1-anilino-3-cyclopropylcyclohexane-1-carbonitrile (CID 64624445) is 1-anilino-3-cyclopropylcyclohexane-1-carbonitrile.
What is the SMILES notation for 1-anilino-3-cyclopropylcyclohexane-1-carbonitrile?
The canonical SMILES for 1-anilino-3-cyclopropylcyclohexane-1-carbonitrile is N#CC1(Nc2ccccc2)CCCC(C2CC2)C1.
What is the InChIKey of 1-anilino-3-cyclopropylcyclohexane-1-carbonitrile?
The InChIKey is SSDPSVXQTCOPOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2/c17-12-16(18-15-6-2-1-3-7-15)10-4-5-14(11-16)13-8-9-13/h1-3,6-7,13-14,18H,4-5,8-11H2.
What are the key properties of 1-anilino-3-cyclopropylcyclohexane-1-carbonitrile?
1-anilino-3-cyclopropylcyclohexane-1-carbonitrile has a molecular weight of 240.35 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-anilino-3-cyclopropylcyclohexane-1-carbonitrile is sourced from PubChem (CID 64624445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).