2-[(4-aminocyclohexyl)amino]-1-phenylethanone

C14H20N2O — CID 54572830

IUPAC2-[(4-aminocyclohexyl)amino]-1-phenylethanone
SMILESNC1CCC(NCC(=O)c2ccccc2)CC1
InChIInChI=1S/C14H20N2O/c15-12-6-8-13(9-7-12)16-10-14(17)11-4-2-1-3-5-11/h1-5,12-13,16H,6-10,15H2
InChIKeyZYNHNHHKOJUQRJ-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.73
Rot. Bonds4

About 2-[(4-aminocyclohexyl)amino]-1-phenylethanone

2-[(4-aminocyclohexyl)amino]-1-phenylethanone (PubChem CID 54572830) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 2-[(4-aminocyclohexyl)amino]-1-phenylethanone.

Molecular Properties

Compound Name2-[(4-aminocyclohexyl)amino]-1-phenylethanone
PubChem CID54572830
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name2-[(4-aminocyclohexyl)amino]-1-phenylethanone
SMILESNC1CCC(NCC(=O)c2ccccc2)CC1
InChIInChI=1S/C14H20N2O/c15-12-6-8-13(9-7-12)16-10-14(17)11-4-2-1-3-5-11/h1-5,12-13,16H,6-10,15H2
InChIKeyZYNHNHHKOJUQRJ-UHFFFAOYSA-N
XLogP1.73
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-aminocyclohexyl)amino]-1-(furan-2-yl)ethanone
CID 71643902
2-[(4-aminocyclohexyl)amino]-1-(furan-2-yl)ethanone;hydrochloride
CID 71643901
2-[[(1R,3S)-3-methylcyclohexyl]amino]-1-phenylethanone
CID 122534357
1-(4-aminophenyl)-2-(cyclopentylamino)ethanone
CID 82258201
1-(4-aminophenyl)-2-(cyclohexylamino)ethanone
CID 82258202
acetic acid;2-[(4-aminocyclohexyl)amino]acetic acid;cyclohexane-1,4-diamine
CID 67721530
N-(2-phenylprop-2-enyl)cyclopropanamine
CID 18333838
N-(4-aminocyclohexyl)-4-oxo-4-(4-phenylphenyl)butanamide
CID 119477041
4-N-benzylcyclohexane-1,4-diamine;formic acid
CID 143890490
bis(1,3-diphenylpropane-1,3-dione);zinc
CID 67929938
1,3-diphenylpropane-1,3-dione;dihydrofluoride
CID 159485423
2-(2-bicyclo[2.2.1]heptanylamino)-1-phenylethanone
CID 68543385

Frequently Asked Questions

What is the IUPAC name of 2-[(4-aminocyclohexyl)amino]-1-phenylethanone?
The IUPAC name of 2-[(4-aminocyclohexyl)amino]-1-phenylethanone (CID 54572830) is 2-[(4-aminocyclohexyl)amino]-1-phenylethanone.
What is the SMILES notation for 2-[(4-aminocyclohexyl)amino]-1-phenylethanone?
The canonical SMILES for 2-[(4-aminocyclohexyl)amino]-1-phenylethanone is NC1CCC(NCC(=O)c2ccccc2)CC1.
What is the InChIKey of 2-[(4-aminocyclohexyl)amino]-1-phenylethanone?
The InChIKey is ZYNHNHHKOJUQRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c15-12-6-8-13(9-7-12)16-10-14(17)11-4-2-1-3-5-11/h1-5,12-13,16H,6-10,15H2.
What are the key properties of 2-[(4-aminocyclohexyl)amino]-1-phenylethanone?
2-[(4-aminocyclohexyl)amino]-1-phenylethanone has a molecular weight of 232.33 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-aminocyclohexyl)amino]-1-phenylethanone is sourced from PubChem (CID 54572830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).