4-(2-cyclobutylethynyl)-N-cyclohexyl-2-methanimidoylaniline

C19H24N2 — CID 166982155

IUPAC4-(2-cyclobutylethynyl)-N-cyclohexyl-2-methanimidoylaniline
SMILES[H]/N=C/c1cc(C#CC2CCC2)ccc1NC1CCCCC1
InChIInChI=1S/C19H24N2/c20-14-17-13-16(10-9-15-5-4-6-15)11-12-19(17)21-18-7-2-1-3-8-18/h11-15,18,20-21H,1-8H2/b20-14+
InChIKeyNUBGHTMEJWCKSH-XSFVSMFZSA-N
MW280.41 g/mol
LogP4.58
Rot. Bonds3

About 4-(2-cyclobutylethynyl)-N-cyclohexyl-2-methanimidoylaniline

4-(2-cyclobutylethynyl)-N-cyclohexyl-2-methanimidoylaniline (PubChem CID 166982155) has the molecular formula C19H24N2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 4-(2-cyclobutylethynyl)-N-cyclohexyl-2-methanimidoylaniline.

Molecular Properties

Compound Name4-(2-cyclobutylethynyl)-N-cyclohexyl-2-methanimidoylaniline
PubChem CID166982155
Molecular FormulaC19H24N2
Molecular Weight280.41 g/mol
Exact Mass280.19
IUPAC Name4-(2-cyclobutylethynyl)-N-cyclohexyl-2-methanimidoylaniline
SMILES[H]/N=C/c1cc(C#CC2CCC2)ccc1NC1CCCCC1
InChIInChI=1S/C19H24N2/c20-14-17-13-16(10-9-15-5-4-6-15)11-12-19(17)21-18-7-2-1-3-8-18/h11-15,18,20-21H,1-8H2/b20-14+
InChIKeyNUBGHTMEJWCKSH-XSFVSMFZSA-N
XLogP4.58
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

5-(2-cyclopentylethynyl)-2-[(4-hydroxycyclohexyl)amino]benzamide
CID 166636388
4-N-cyclohexyl-2-methanimidoylbenzene-1,4-diamine
CID 88581989
2-phenylethynylcyclooctane
CID 71426639
3-(2-cyclohexylethynyl)benzoic acid
CID 140982933
N-(2-methoxy-4-methylphenyl)cycloheptanamine
CID 54865924
N-cyclohexyl-4-methoxy-2-methylaniline
CID 62867173
2-[2-(cyclohexylamino)phenyl]ethenone
CID 176534727
N-cyclohexyl-2-ethenylaniline
CID 148703005
N-cyclohexyl-4-[(E)-1-[4-[3-[3-ethenyl-2,5-dimethylidene-4-[(Z)-prop-1-enyl]pyrrol-1-yl]propyl]phenyl]-2-phenylbut-1-enyl]-2-methanimidoylaniline
CID 145199927
N-cyclopentyl-2-methoxy-4-methylaniline
CID 60932098
3-methoxy-4-[(4-methylcycloheptyl)amino]benzonitrile
CID 104848127
N-cyclopentyl-4-methoxy-2-methylaniline
CID 62867512

Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclobutylethynyl)-N-cyclohexyl-2-methanimidoylaniline?
The IUPAC name of 4-(2-cyclobutylethynyl)-N-cyclohexyl-2-methanimidoylaniline (CID 166982155) is 4-(2-cyclobutylethynyl)-N-cyclohexyl-2-methanimidoylaniline.
What is the SMILES notation for 4-(2-cyclobutylethynyl)-N-cyclohexyl-2-methanimidoylaniline?
The canonical SMILES for 4-(2-cyclobutylethynyl)-N-cyclohexyl-2-methanimidoylaniline is [H]/N=C/c1cc(C#CC2CCC2)ccc1NC1CCCCC1.
What is the InChIKey of 4-(2-cyclobutylethynyl)-N-cyclohexyl-2-methanimidoylaniline?
The InChIKey is NUBGHTMEJWCKSH-XSFVSMFZSA-N. The full InChI is InChI=1S/C19H24N2/c20-14-17-13-16(10-9-15-5-4-6-15)11-12-19(17)21-18-7-2-1-3-8-18/h11-15,18,20-21H,1-8H2/b20-14+.
What are the key properties of 4-(2-cyclobutylethynyl)-N-cyclohexyl-2-methanimidoylaniline?
4-(2-cyclobutylethynyl)-N-cyclohexyl-2-methanimidoylaniline has a molecular weight of 280.41 g/mol, XLogP of 4.58, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclobutylethynyl)-N-cyclohexyl-2-methanimidoylaniline is sourced from PubChem (CID 166982155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).