3-[(4-ethylcyclohexyl)amino]-1-phenylcyclobutane-1-carbonitrile

C19H26N2 — CID 64906291

IUPAC3-[(4-ethylcyclohexyl)amino]-1-phenylcyclobutane-1-carbonitrile
SMILESCCC1CCC(NC2CC(C#N)(c3ccccc3)C2)CC1
InChIInChI=1S/C19H26N2/c1-2-15-8-10-17(11-9-15)21-18-12-19(13-18,14-20)16-6-4-3-5-7-16/h3-7,15,17-18,21H,2,8-13H2,1H3
InChIKeyNZIKCDWOAZSTTK-UHFFFAOYSA-N
MW282.43 g/mol
LogP4.17
Rot. Bonds4

About 3-[(4-ethylcyclohexyl)amino]-1-phenylcyclobutane-1-carbonitrile

3-[(4-ethylcyclohexyl)amino]-1-phenylcyclobutane-1-carbonitrile (PubChem CID 64906291) has the molecular formula C19H26N2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 3-[(4-ethylcyclohexyl)amino]-1-phenylcyclobutane-1-carbonitrile.

Molecular Properties

Compound Name3-[(4-ethylcyclohexyl)amino]-1-phenylcyclobutane-1-carbonitrile
PubChem CID64906291
Molecular FormulaC19H26N2
Molecular Weight282.43 g/mol
Exact Mass282.21
IUPAC Name3-[(4-ethylcyclohexyl)amino]-1-phenylcyclobutane-1-carbonitrile
SMILESCCC1CCC(NC2CC(C#N)(c3ccccc3)C2)CC1
InChIInChI=1S/C19H26N2/c1-2-15-8-10-17(11-9-15)21-18-12-19(13-18,14-20)16-6-4-3-5-7-16/h3-7,15,17-18,21H,2,8-13H2,1H3
InChIKeyNZIKCDWOAZSTTK-UHFFFAOYSA-N
XLogP4.17
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethylcyclohexyl)amino]-1-phenylcyclobutane-1-carbonitrile?
The IUPAC name of 3-[(4-ethylcyclohexyl)amino]-1-phenylcyclobutane-1-carbonitrile (CID 64906291) is 3-[(4-ethylcyclohexyl)amino]-1-phenylcyclobutane-1-carbonitrile.
What is the SMILES notation for 3-[(4-ethylcyclohexyl)amino]-1-phenylcyclobutane-1-carbonitrile?
The canonical SMILES for 3-[(4-ethylcyclohexyl)amino]-1-phenylcyclobutane-1-carbonitrile is CCC1CCC(NC2CC(C#N)(c3ccccc3)C2)CC1.
What is the InChIKey of 3-[(4-ethylcyclohexyl)amino]-1-phenylcyclobutane-1-carbonitrile?
The InChIKey is NZIKCDWOAZSTTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2/c1-2-15-8-10-17(11-9-15)21-18-12-19(13-18,14-20)16-6-4-3-5-7-16/h3-7,15,17-18,21H,2,8-13H2,1H3.
What are the key properties of 3-[(4-ethylcyclohexyl)amino]-1-phenylcyclobutane-1-carbonitrile?
3-[(4-ethylcyclohexyl)amino]-1-phenylcyclobutane-1-carbonitrile has a molecular weight of 282.43 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethylcyclohexyl)amino]-1-phenylcyclobutane-1-carbonitrile is sourced from PubChem (CID 64906291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).