[4-(aminomethyl)cyclohexyl]urea

C8H17N3O — CID 130538291

IUPAC[4-(aminomethyl)cyclohexyl]urea
SMILESNCC1CCC(NC(N)=O)CC1
InChIInChI=1S/C8H17N3O/c9-5-6-1-3-7(4-2-6)11-8(10)12/h6-7H,1-5,9H2,(H3,10,11,12)
InChIKeyVNASHCIYVLFTQH-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.17
Rot. Bonds2

About [4-(aminomethyl)cyclohexyl]urea

[4-(aminomethyl)cyclohexyl]urea (PubChem CID 130538291) has the molecular formula C8H17N3O and a molecular weight of 171.24 g/mol. Its IUPAC name is [4-(aminomethyl)cyclohexyl]urea.

Molecular Properties

Compound Name[4-(aminomethyl)cyclohexyl]urea
PubChem CID130538291
Molecular FormulaC8H17N3O
Molecular Weight171.24 g/mol
Exact Mass171.14
IUPAC Name[4-(aminomethyl)cyclohexyl]urea
SMILESNCC1CCC(NC(N)=O)CC1
InChIInChI=1S/C8H17N3O/c9-5-6-1-3-7(4-2-6)11-8(10)12/h6-7H,1-5,9H2,(H3,10,11,12)
InChIKeyVNASHCIYVLFTQH-UHFFFAOYSA-N
XLogP0.17
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-bis[4-(carbamoylamino)cyclohexyl]urea
CID 163452854
(4-chlorocyclohexyl)urea
CID 86732946
[4-(ethylamino)cyclohexyl]urea
CID 43653665
4-(aminomethyl)-N-cyclopentylcyclohexane-1-carboxamide;hydrochloride
CID 165437685
cyclobutylurea;ethane
CID 145319429
cyclopropanecarboxamide;cyclopropylmethanamine
CID 175374528
[4-(aminomethyl)cyclohexyl]methanamine
CID 158172497
cyclohexylurea;methanamine
CID 142108304
[4-(dimethylamino)cyclohexyl]urea
CID 59286114
azetidin-3-ylurea
CID 66186769
4-(aminomethyl)-N-[4-(cyclopropylamino)-4-oxobutyl]cyclohexane-1-carboxamide
CID 79526623
methyl 4-(carbamoylamino)cyclohexane-1-carboxylate
CID 47585856

Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)cyclohexyl]urea?
The IUPAC name of [4-(aminomethyl)cyclohexyl]urea (CID 130538291) is [4-(aminomethyl)cyclohexyl]urea.
What is the SMILES notation for [4-(aminomethyl)cyclohexyl]urea?
The canonical SMILES for [4-(aminomethyl)cyclohexyl]urea is NCC1CCC(NC(N)=O)CC1.
What is the InChIKey of [4-(aminomethyl)cyclohexyl]urea?
The InChIKey is VNASHCIYVLFTQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O/c9-5-6-1-3-7(4-2-6)11-8(10)12/h6-7H,1-5,9H2,(H3,10,11,12).
What are the key properties of [4-(aminomethyl)cyclohexyl]urea?
[4-(aminomethyl)cyclohexyl]urea has a molecular weight of 171.24 g/mol, XLogP of 0.17, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)cyclohexyl]urea is sourced from PubChem (CID 130538291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).