1-[3-(dimethylamino)cyclohexyl]-3-(2-hydroxy-2,3-dimethylbutyl)urea

C15H31N3O2 — CID 111796119

IUPAC1-[3-(dimethylamino)cyclohexyl]-3-(2-hydroxy-2,3-dimethylbutyl)urea
SMILESCC(C)C(C)(O)CNC(=O)NC1CCCC(N(C)C)C1
InChIInChI=1S/C15H31N3O2/c1-11(2)15(3,20)10-16-14(19)17-12-7-6-8-13(9-12)18(4)5/h11-13,20H,6-10H2,1-5H3,(H2,16,17,19)
InChIKeyFTWZOWBARLHMMB-UHFFFAOYSA-N
MW285.43 g/mol
LogP1.57
Rot. Bonds5

About 1-[3-(dimethylamino)cyclohexyl]-3-(2-hydroxy-2,3-dimethylbutyl)urea

1-[3-(dimethylamino)cyclohexyl]-3-(2-hydroxy-2,3-dimethylbutyl)urea (PubChem CID 111796119) has the molecular formula C15H31N3O2 and a molecular weight of 285.43 g/mol. Its IUPAC name is 1-[3-(dimethylamino)cyclohexyl]-3-(2-hydroxy-2,3-dimethylbutyl)urea.

Molecular Properties

Compound Name1-[3-(dimethylamino)cyclohexyl]-3-(2-hydroxy-2,3-dimethylbutyl)urea
PubChem CID111796119
Molecular FormulaC15H31N3O2
Molecular Weight285.43 g/mol
Exact Mass285.24
IUPAC Name1-[3-(dimethylamino)cyclohexyl]-3-(2-hydroxy-2,3-dimethylbutyl)urea
SMILESCC(C)C(C)(O)CNC(=O)NC1CCCC(N(C)C)C1
InChIInChI=1S/C15H31N3O2/c1-11(2)15(3,20)10-16-14(19)17-12-7-6-8-13(9-12)18(4)5/h11-13,20H,6-10H2,1-5H3,(H2,16,17,19)
InChIKeyFTWZOWBARLHMMB-UHFFFAOYSA-N
XLogP1.57
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(dimethylamino)cyclohexyl]-3-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]urea
CID 111796089
1-cyclobutyl-3-(2,2-dimethylpropyl)urea
CID 115617999
1-(2-hydroxy-2,3-dimethylbutyl)-3-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]urea
CID 111121133
(2S)-2-amino-N-[3-(dimethylamino)cyclohexyl]-4-methylpentanamide;dihydrochloride
CID 119889118
3-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 63043352
1-cyclobutyl-3-(2-ethyl-2-hydroxybutyl)urea
CID 115642262
1-cyclobutyl-3-(2,2-dimethylbutyl)urea
CID 103461025
1-amino-N-[3-(dimethylamino)cyclohexyl]cyclopropane-1-carboxamide
CID 119889043
3-(2,2-dimethylbutylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 103463198
1-(cycloheptylamino)-2,3-dimethylbutan-2-ol
CID 111118556
1-cyclopropyl-3-[2-(dimethylamino)-2-methylpropyl]urea
CID 110303291
1-(2-hydroxy-2,3-dimethylbutyl)-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]urea
CID 111120941

Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)cyclohexyl]-3-(2-hydroxy-2,3-dimethylbutyl)urea?
The IUPAC name of 1-[3-(dimethylamino)cyclohexyl]-3-(2-hydroxy-2,3-dimethylbutyl)urea (CID 111796119) is 1-[3-(dimethylamino)cyclohexyl]-3-(2-hydroxy-2,3-dimethylbutyl)urea.
What is the SMILES notation for 1-[3-(dimethylamino)cyclohexyl]-3-(2-hydroxy-2,3-dimethylbutyl)urea?
The canonical SMILES for 1-[3-(dimethylamino)cyclohexyl]-3-(2-hydroxy-2,3-dimethylbutyl)urea is CC(C)C(C)(O)CNC(=O)NC1CCCC(N(C)C)C1.
What is the InChIKey of 1-[3-(dimethylamino)cyclohexyl]-3-(2-hydroxy-2,3-dimethylbutyl)urea?
The InChIKey is FTWZOWBARLHMMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O2/c1-11(2)15(3,20)10-16-14(19)17-12-7-6-8-13(9-12)18(4)5/h11-13,20H,6-10H2,1-5H3,(H2,16,17,19).
What are the key properties of 1-[3-(dimethylamino)cyclohexyl]-3-(2-hydroxy-2,3-dimethylbutyl)urea?
1-[3-(dimethylamino)cyclohexyl]-3-(2-hydroxy-2,3-dimethylbutyl)urea has a molecular weight of 285.43 g/mol, XLogP of 1.57, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)cyclohexyl]-3-(2-hydroxy-2,3-dimethylbutyl)urea is sourced from PubChem (CID 111796119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).