1-[4-(hydroxymethyl)cyclohexyl]-1-methyl-3-propan-2-ylurea

C12H24N2O2 — CID 97018628

IUPAC1-[4-(hydroxymethyl)cyclohexyl]-1-methyl-3-propan-2-ylurea
SMILESCC(C)NC(=O)N(C)C1CCC(CO)CC1
InChIInChI=1S/C12H24N2O2/c1-9(2)13-12(16)14(3)11-6-4-10(8-15)5-7-11/h9-11,15H,4-8H2,1-3H3,(H,13,16)
InChIKeyPWRWYEGVPHKUDC-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.59
Rot. Bonds3

About 1-[4-(hydroxymethyl)cyclohexyl]-1-methyl-3-propan-2-ylurea

1-[4-(hydroxymethyl)cyclohexyl]-1-methyl-3-propan-2-ylurea (PubChem CID 97018628) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 1-[4-(hydroxymethyl)cyclohexyl]-1-methyl-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[4-(hydroxymethyl)cyclohexyl]-1-methyl-3-propan-2-ylurea
PubChem CID97018628
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name1-[4-(hydroxymethyl)cyclohexyl]-1-methyl-3-propan-2-ylurea
SMILESCC(C)NC(=O)N(C)C1CCC(CO)CC1
InChIInChI=1S/C12H24N2O2/c1-9(2)13-12(16)14(3)11-6-4-10(8-15)5-7-11/h9-11,15H,4-8H2,1-3H3,(H,13,16)
InChIKeyPWRWYEGVPHKUDC-UHFFFAOYSA-N
XLogP1.59
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4,4-dimethylcyclohexyl)-1-methyl-3-propan-2-ylurea
CID 115686583
1-methyl-3-propan-2-yl-1-[4-(propylamino)cyclohexyl]urea
CID 79122790
(2R)-2-[[cyclohexyl(methyl)carbamoyl]amino]propanoic acid
CID 78972171
(2R)-2-[[(4-ethylcyclohexyl)-methylcarbamoyl]amino]-3-hydroxypropanoic acid
CID 80756492
4-[[[4-(hydroxymethyl)cyclohexyl]-methylcarbamoyl]amino]cyclohexane-1-carboxylic acid
CID 122024286
(2R)-2-[[(4-ethylcyclohexyl)-methylcarbamoyl]amino]-4-hydroxybutanoic acid
CID 107826727
(2S)-2-[[(4-ethylcyclohexyl)-methylcarbamoyl]amino]-3-methylpentanoic acid
CID 61449453
(2S)-2-[[cyclopropyl(methyl)carbamoyl]amino]-4-methylpentanoic acid
CID 61195446
1-[4-(hydroxymethyl)cyclohexyl]-1-methyl-3-pyrimidin-4-ylurea
CID 167906538
(2S)-2-amino-N-cyclobutyl-2-[4-(hydroxymethyl)cyclohexyl]-N-methylacetamide
CID 70337489
(2S)-2-[[cyclopropyl(methyl)carbamoyl]amino]-3-methylpentanoic acid
CID 61196193
5-[[cyclopropyl(methyl)carbamoyl]amino]hexanoic acid
CID 82844825

Frequently Asked Questions

What is the IUPAC name of 1-[4-(hydroxymethyl)cyclohexyl]-1-methyl-3-propan-2-ylurea?
The IUPAC name of 1-[4-(hydroxymethyl)cyclohexyl]-1-methyl-3-propan-2-ylurea (CID 97018628) is 1-[4-(hydroxymethyl)cyclohexyl]-1-methyl-3-propan-2-ylurea.
What is the SMILES notation for 1-[4-(hydroxymethyl)cyclohexyl]-1-methyl-3-propan-2-ylurea?
The canonical SMILES for 1-[4-(hydroxymethyl)cyclohexyl]-1-methyl-3-propan-2-ylurea is CC(C)NC(=O)N(C)C1CCC(CO)CC1.
What is the InChIKey of 1-[4-(hydroxymethyl)cyclohexyl]-1-methyl-3-propan-2-ylurea?
The InChIKey is PWRWYEGVPHKUDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-9(2)13-12(16)14(3)11-6-4-10(8-15)5-7-11/h9-11,15H,4-8H2,1-3H3,(H,13,16).
What are the key properties of 1-[4-(hydroxymethyl)cyclohexyl]-1-methyl-3-propan-2-ylurea?
1-[4-(hydroxymethyl)cyclohexyl]-1-methyl-3-propan-2-ylurea has a molecular weight of 228.34 g/mol, XLogP of 1.59, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(hydroxymethyl)cyclohexyl]-1-methyl-3-propan-2-ylurea is sourced from PubChem (CID 97018628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).