1-cyclohexyl-3-[2-[di(propan-2-yl)amino]ethyl]urea

C15H31N3O — CID 115569818

IUPAC1-cyclohexyl-3-[2-[di(propan-2-yl)amino]ethyl]urea
SMILESCC(C)N(CCNC(=O)NC1CCCCC1)C(C)C
InChIInChI=1S/C15H31N3O/c1-12(2)18(13(3)4)11-10-16-15(19)17-14-8-6-5-7-9-14/h12-14H,5-11H2,1-4H3,(H2,16,17,19)
InChIKeySRHLOWJCHDBFBH-UHFFFAOYSA-N
MW269.43 g/mol
LogP2.74
Rot. Bonds6

About 1-cyclohexyl-3-[2-[di(propan-2-yl)amino]ethyl]urea

1-cyclohexyl-3-[2-[di(propan-2-yl)amino]ethyl]urea (PubChem CID 115569818) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is 1-cyclohexyl-3-[2-[di(propan-2-yl)amino]ethyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[2-[di(propan-2-yl)amino]ethyl]urea
PubChem CID115569818
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name1-cyclohexyl-3-[2-[di(propan-2-yl)amino]ethyl]urea
SMILESCC(C)N(CCNC(=O)NC1CCCCC1)C(C)C
InChIInChI=1S/C15H31N3O/c1-12(2)18(13(3)4)11-10-16-15(19)17-14-8-6-5-7-9-14/h12-14H,5-11H2,1-4H3,(H2,16,17,19)
InChIKeySRHLOWJCHDBFBH-UHFFFAOYSA-N
XLogP2.74
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclohexyl-3-[2-(propan-2-ylamino)ethyl]urea
CID 62664578
1-cyclohexyl-3-[2-[3-methylbutyl(methylsulfonyl)amino]ethyl]urea
CID 113068249
N-cyclohexyl-2-[[N-[2-[di(propan-2-yl)amino]ethyl]-N'-methylcarbamimidoyl]amino]acetamide
CID 111248329
1-cyclohexyl-3-[2-[cyclopentyl(methylsulfonyl)amino]ethyl]urea
CID 113065748
1-[2-[di(propan-2-yl)amino]ethyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
CID 54455587
1-cyclohexyl-3-[2-[cyclopropyl(methylsulfonyl)amino]ethyl]urea
CID 113065144
1-(3-aminobutyl)-3-cyclohexylurea
CID 63253951
1-[2-[tert-butyl(methylsulfonyl)amino]ethyl]-3-cyclohexylurea
CID 113068057
1-cyclopentyl-3-(3-hydroxybutyl)urea
CID 78964917
1-cyclopentyl-3-propylurea
CID 14343339
1-cyclopentyl-3-[2-(2-hydroxypropylamino)ethyl]urea
CID 104593877
1-cyclohexyl-3-[2-(ethylamino)ethyl]urea
CID 62663846

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[2-[di(propan-2-yl)amino]ethyl]urea?
The IUPAC name of 1-cyclohexyl-3-[2-[di(propan-2-yl)amino]ethyl]urea (CID 115569818) is 1-cyclohexyl-3-[2-[di(propan-2-yl)amino]ethyl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[2-[di(propan-2-yl)amino]ethyl]urea?
The canonical SMILES for 1-cyclohexyl-3-[2-[di(propan-2-yl)amino]ethyl]urea is CC(C)N(CCNC(=O)NC1CCCCC1)C(C)C.
What is the InChIKey of 1-cyclohexyl-3-[2-[di(propan-2-yl)amino]ethyl]urea?
The InChIKey is SRHLOWJCHDBFBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-12(2)18(13(3)4)11-10-16-15(19)17-14-8-6-5-7-9-14/h12-14H,5-11H2,1-4H3,(H2,16,17,19).
What are the key properties of 1-cyclohexyl-3-[2-[di(propan-2-yl)amino]ethyl]urea?
1-cyclohexyl-3-[2-[di(propan-2-yl)amino]ethyl]urea has a molecular weight of 269.43 g/mol, XLogP of 2.74, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[2-[di(propan-2-yl)amino]ethyl]urea is sourced from PubChem (CID 115569818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).