1-[3-(aminomethyl)cyclohexyl]-3-methylurea

C9H19N3O — CID 130538288

IUPAC1-[3-(aminomethyl)cyclohexyl]-3-methylurea
SMILESCNC(=O)NC1CCCC(CN)C1
InChIInChI=1S/C9H19N3O/c1-11-9(13)12-8-4-2-3-7(5-8)6-10/h7-8H,2-6,10H2,1H3,(H2,11,12,13)
InChIKeyGHVILNHXEBGQGZ-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.43
Rot. Bonds2

About 1-[3-(aminomethyl)cyclohexyl]-3-methylurea

1-[3-(aminomethyl)cyclohexyl]-3-methylurea (PubChem CID 130538288) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is 1-[3-(aminomethyl)cyclohexyl]-3-methylurea.

Molecular Properties

Compound Name1-[3-(aminomethyl)cyclohexyl]-3-methylurea
PubChem CID130538288
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Name1-[3-(aminomethyl)cyclohexyl]-3-methylurea
SMILESCNC(=O)NC1CCCC(CN)C1
InChIInChI=1S/C9H19N3O/c1-11-9(13)12-8-4-2-3-7(5-8)6-10/h7-8H,2-6,10H2,1H3,(H2,11,12,13)
InChIKeyGHVILNHXEBGQGZ-UHFFFAOYSA-N
XLogP0.43
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl N-[(1R,3R)-3-(aminomethyl)cyclohexyl]carbamate
CID 71685847
1-[3-(2,2-dimethylpropyl)cyclopentyl]-3-methylurea
CID 164775288
N-[(1R,3S)-3-(aminomethyl)cyclopentyl]cyclopentanecarboxamide
CID 178190623
N-[(1R,3S)-3-(aminomethyl)cyclopentyl]butanamide
CID 165443867
N-[3-(aminomethyl)cyclopentyl]butanamide
CID 165452357
N-[(1S,3R)-3-(aminomethyl)cyclopentyl]cyclohexanecarboxamide
CID 165448057
[(1S,3S)-3-(aminomethyl)cyclohexyl]methanamine
CID 6951512
1-[(1R,3R)-3-(aminomethyl)cyclohexyl]propan-2-one
CID 98010324
2-[3-(aminomethyl)cyclohexyl]-N-methylethanamine
CID 142152689
N-[3-(aminomethyl)cyclopentyl]-3-methylbut-2-enamide
CID 130935265
N-[3-(bromomethyl)cyclohexyl]acetamide
CID 130538222
1-(3-ethylcyclohexyl)-3-(oxolan-3-yl)urea
CID 115759113

Frequently Asked Questions

What is the IUPAC name of 1-[3-(aminomethyl)cyclohexyl]-3-methylurea?
The IUPAC name of 1-[3-(aminomethyl)cyclohexyl]-3-methylurea (CID 130538288) is 1-[3-(aminomethyl)cyclohexyl]-3-methylurea.
What is the SMILES notation for 1-[3-(aminomethyl)cyclohexyl]-3-methylurea?
The canonical SMILES for 1-[3-(aminomethyl)cyclohexyl]-3-methylurea is CNC(=O)NC1CCCC(CN)C1.
What is the InChIKey of 1-[3-(aminomethyl)cyclohexyl]-3-methylurea?
The InChIKey is GHVILNHXEBGQGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O/c1-11-9(13)12-8-4-2-3-7(5-8)6-10/h7-8H,2-6,10H2,1H3,(H2,11,12,13).
What are the key properties of 1-[3-(aminomethyl)cyclohexyl]-3-methylurea?
1-[3-(aminomethyl)cyclohexyl]-3-methylurea has a molecular weight of 185.27 g/mol, XLogP of 0.43, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(aminomethyl)cyclohexyl]-3-methylurea is sourced from PubChem (CID 130538288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).