1-cyclopropyl-3-[(1R,5R)-1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]urea

C14H26N2O2 — CID 95784243

IUPAC1-cyclopropyl-3-[(1R,5R)-1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]urea
SMILESC[C@@H]1CC(C)(C)C[C@](CO)(NC(=O)NC2CC2)C1
InChIInChI=1S/C14H26N2O2/c1-10-6-13(2,3)8-14(7-10,9-17)16-12(18)15-11-4-5-11/h10-11,17H,4-9H2,1-3H3,(H2,15,16,18)/t10-,14-/m1/s1
InChIKeyDEHNCUDCSQYYJG-QMTHXVAHSA-N
MW254.37 g/mol
LogP2.03
Rot. Bonds3

About 1-cyclopropyl-3-[(1R,5R)-1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]urea

1-cyclopropyl-3-[(1R,5R)-1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]urea (PubChem CID 95784243) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 1-cyclopropyl-3-[(1R,5R)-1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]urea.

Molecular Properties

Compound Name1-cyclopropyl-3-[(1R,5R)-1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]urea
PubChem CID95784243
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name1-cyclopropyl-3-[(1R,5R)-1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]urea
SMILESC[C@@H]1CC(C)(C)C[C@](CO)(NC(=O)NC2CC2)C1
InChIInChI=1S/C14H26N2O2/c1-10-6-13(2,3)8-14(7-10,9-17)16-12(18)15-11-4-5-11/h10-11,17H,4-9H2,1-3H3,(H2,15,16,18)/t10-,14-/m1/s1
InChIKeyDEHNCUDCSQYYJG-QMTHXVAHSA-N
XLogP2.03
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 1-cyclopropyl-3-[(1R,5R)-1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]urea with MolForge

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Related Compounds

[1-(cyclopentylamino)-3,3,5-trimethylcyclohexyl]methanol
CID 61055766
(2R,3R)-N-[(1R,5R)-1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]-2-methyloxolane-3-carboxamide
CID 129374190
[1-(ethylamino)-3,3,5-trimethylcyclohexyl]methanol
CID 61050703
3-[[1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]amino]-N-methylpropanamide
CID 111757470
3-[[(1S,5R)-1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]amino]propan-1-ol
CID 97022779
2-[1-[(4-methylcyclohexyl)carbamoylamino]cyclobutyl]acetic acid
CID 79845568
2-[4-[[(1R,5S)-1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]carbamoylamino]pyrazol-1-yl]acetamide
CID 95784260
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1R,5S)-1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]acetamide
CID 129433188
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1S,5S)-1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]acetamide
CID 129433190
1-(aminomethyl)-N-cyclopropyl-3,3,5-trimethylcyclohexan-1-amine
CID 62071894
[1-(3-methoxypropylamino)-3,3,5-trimethylcyclohexyl]methanol
CID 111757450
1-[2-[[(1S,5S)-1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]amino]ethyl]pyrrolidine-2,5-dione
CID 97238590

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[(1R,5R)-1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]urea?
The IUPAC name of 1-cyclopropyl-3-[(1R,5R)-1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]urea (CID 95784243) is 1-cyclopropyl-3-[(1R,5R)-1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]urea.
What is the SMILES notation for 1-cyclopropyl-3-[(1R,5R)-1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]urea?
The canonical SMILES for 1-cyclopropyl-3-[(1R,5R)-1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]urea is C[C@@H]1CC(C)(C)C[C@](CO)(NC(=O)NC2CC2)C1.
What is the InChIKey of 1-cyclopropyl-3-[(1R,5R)-1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]urea?
The InChIKey is DEHNCUDCSQYYJG-QMTHXVAHSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-10-6-13(2,3)8-14(7-10,9-17)16-12(18)15-11-4-5-11/h10-11,17H,4-9H2,1-3H3,(H2,15,16,18)/t10-,14-/m1/s1.
What are the key properties of 1-cyclopropyl-3-[(1R,5R)-1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]urea?
1-cyclopropyl-3-[(1R,5R)-1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]urea has a molecular weight of 254.37 g/mol, XLogP of 2.03, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[(1R,5R)-1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]urea is sourced from PubChem (CID 95784243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).