1-[1-(aminomethyl)cyclohexyl]-3-(4-methylphenyl)urea

C15H23N3O — CID 63765978

IUPAC1-[1-(aminomethyl)cyclohexyl]-3-(4-methylphenyl)urea
SMILESCc1ccc(NC(=O)NC2(CN)CCCCC2)cc1
InChIInChI=1S/C15H23N3O/c1-12-5-7-13(8-6-12)17-14(19)18-15(11-16)9-3-2-4-10-15/h5-8H,2-4,9-11,16H2,1H3,(H2,17,18,19)
InChIKeyOYOWYWIKZJBLOE-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.78
Rot. Bonds3

About 1-[1-(aminomethyl)cyclohexyl]-3-(4-methylphenyl)urea

1-[1-(aminomethyl)cyclohexyl]-3-(4-methylphenyl)urea (PubChem CID 63765978) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-[1-(aminomethyl)cyclohexyl]-3-(4-methylphenyl)urea.

Molecular Properties

Compound Name1-[1-(aminomethyl)cyclohexyl]-3-(4-methylphenyl)urea
PubChem CID63765978
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name1-[1-(aminomethyl)cyclohexyl]-3-(4-methylphenyl)urea
SMILESCc1ccc(NC(=O)NC2(CN)CCCCC2)cc1
InChIInChI=1S/C15H23N3O/c1-12-5-7-13(8-6-12)17-14(19)18-15(11-16)9-3-2-4-10-15/h5-8H,2-4,9-11,16H2,1H3,(H2,17,18,19)
InChIKeyOYOWYWIKZJBLOE-UHFFFAOYSA-N
XLogP2.78
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(aminomethyl)cyclopentyl]-4-methylaniline
CID 65379015
1-(1-cyanocycloheptyl)-3-(4-methylphenyl)urea
CID 61125014
1-[1-(aminomethyl)cyclopentyl]-3-(3-fluorophenyl)urea
CID 63767680
2-[[1-(aminomethyl)cyclohexyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 62006539
N-[1-(aminomethyl)cyclohexyl]-2-hydroxy-4-methylbenzamide
CID 63756003
1-(4-fluorophenyl)-3-[1-(hydroxymethyl)cyclopentyl]urea
CID 62521940
1-[1-(hydroxymethyl)cyclopentyl]-3-[4-(4-methylpyrimidin-2-yl)phenyl]urea
CID 111926476
2-[1-[(4-chlorophenyl)carbamoylamino]cyclohexyl]acetic acid
CID 64672747
N-[1-(aminomethyl)cyclopentyl]-4-benzamidobenzamide
CID 119567292
[1-(4-methylanilino)cycloheptyl]methanol
CID 61044779
8-(aminomethyl)-N-(4-methylphenyl)spiro[4.5]decan-8-amine
CID 114818195
3-(aminomethyl)-N-(4-methylphenyl)piperidin-3-amine
CID 105474886

Frequently Asked Questions

What is the IUPAC name of 1-[1-(aminomethyl)cyclohexyl]-3-(4-methylphenyl)urea?
The IUPAC name of 1-[1-(aminomethyl)cyclohexyl]-3-(4-methylphenyl)urea (CID 63765978) is 1-[1-(aminomethyl)cyclohexyl]-3-(4-methylphenyl)urea.
What is the SMILES notation for 1-[1-(aminomethyl)cyclohexyl]-3-(4-methylphenyl)urea?
The canonical SMILES for 1-[1-(aminomethyl)cyclohexyl]-3-(4-methylphenyl)urea is Cc1ccc(NC(=O)NC2(CN)CCCCC2)cc1.
What is the InChIKey of 1-[1-(aminomethyl)cyclohexyl]-3-(4-methylphenyl)urea?
The InChIKey is OYOWYWIKZJBLOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-12-5-7-13(8-6-12)17-14(19)18-15(11-16)9-3-2-4-10-15/h5-8H,2-4,9-11,16H2,1H3,(H2,17,18,19).
What are the key properties of 1-[1-(aminomethyl)cyclohexyl]-3-(4-methylphenyl)urea?
1-[1-(aminomethyl)cyclohexyl]-3-(4-methylphenyl)urea has a molecular weight of 261.37 g/mol, XLogP of 2.78, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(aminomethyl)cyclohexyl]-3-(4-methylphenyl)urea is sourced from PubChem (CID 63765978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).