1-[(1-aminocyclohexyl)methyl]-3-(4-cyanophenyl)urea

C15H20N4O — CID 61300035

IUPAC1-[(1-aminocyclohexyl)methyl]-3-(4-cyanophenyl)urea
SMILESN#Cc1ccc(NC(=O)NCC2(N)CCCCC2)cc1
InChIInChI=1S/C15H20N4O/c16-10-12-4-6-13(7-5-12)19-14(20)18-11-15(17)8-2-1-3-9-15/h4-7H,1-3,8-9,11,17H2,(H2,18,19,20)
InChIKeyQCPOXTXODASPPT-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.34
Rot. Bonds3

About 1-[(1-aminocyclohexyl)methyl]-3-(4-cyanophenyl)urea

1-[(1-aminocyclohexyl)methyl]-3-(4-cyanophenyl)urea (PubChem CID 61300035) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 1-[(1-aminocyclohexyl)methyl]-3-(4-cyanophenyl)urea.

Molecular Properties

Compound Name1-[(1-aminocyclohexyl)methyl]-3-(4-cyanophenyl)urea
PubChem CID61300035
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name1-[(1-aminocyclohexyl)methyl]-3-(4-cyanophenyl)urea
SMILESN#Cc1ccc(NC(=O)NCC2(N)CCCCC2)cc1
InChIInChI=1S/C15H20N4O/c16-10-12-4-6-13(7-5-12)19-14(20)18-11-15(17)8-2-1-3-9-15/h4-7H,1-3,8-9,11,17H2,(H2,18,19,20)
InChIKeyQCPOXTXODASPPT-UHFFFAOYSA-N
XLogP2.34
TPSA90.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-cyanophenyl)-3-[(1-hydroxycyclobutyl)methyl]urea
CID 115619734
1-[(1-aminocyclobutyl)methyl]-3-(3-cyanophenyl)urea
CID 103352667
(1-aminocycloheptyl)methyl N-(4-cyanophenyl)carbamate
CID 79341766
1-(4-cyanophenyl)-3-[(1-thiomorpholin-4-ylcyclopentyl)methyl]urea
CID 38281830
1-(4-cyanophenyl)-3-[1-(hydroxymethyl)cyclohexyl]urea
CID 62520959
1-(4-cyanophenyl)-3-[1-(hydroxymethyl)cyclopentyl]urea
CID 62522293
1-(1-adamantylmethyl)-3-(4-cyanophenyl)urea
CID 108870350
1-(4-cyanophenyl)-3-[[1-(4-fluorophenyl)cyclopropyl]methyl]urea
CID 113214424
2-(1-aminocyclohexyl)-N-[(4-cyanophenyl)methyl]acetamide
CID 64684065
N-[(1-aminocyclohexyl)methyl]-4-cyanobenzenesulfonamide
CID 43598191
1-(4-cyanophenyl)-3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]urea
CID 113214748
1-(3-cyanophenyl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 79451080

Frequently Asked Questions

What is the IUPAC name of 1-[(1-aminocyclohexyl)methyl]-3-(4-cyanophenyl)urea?
The IUPAC name of 1-[(1-aminocyclohexyl)methyl]-3-(4-cyanophenyl)urea (CID 61300035) is 1-[(1-aminocyclohexyl)methyl]-3-(4-cyanophenyl)urea.
What is the SMILES notation for 1-[(1-aminocyclohexyl)methyl]-3-(4-cyanophenyl)urea?
The canonical SMILES for 1-[(1-aminocyclohexyl)methyl]-3-(4-cyanophenyl)urea is N#Cc1ccc(NC(=O)NCC2(N)CCCCC2)cc1.
What is the InChIKey of 1-[(1-aminocyclohexyl)methyl]-3-(4-cyanophenyl)urea?
The InChIKey is QCPOXTXODASPPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c16-10-12-4-6-13(7-5-12)19-14(20)18-11-15(17)8-2-1-3-9-15/h4-7H,1-3,8-9,11,17H2,(H2,18,19,20).
What are the key properties of 1-[(1-aminocyclohexyl)methyl]-3-(4-cyanophenyl)urea?
1-[(1-aminocyclohexyl)methyl]-3-(4-cyanophenyl)urea has a molecular weight of 272.35 g/mol, XLogP of 2.34, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-aminocyclohexyl)methyl]-3-(4-cyanophenyl)urea is sourced from PubChem (CID 61300035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).