1-cyclohexyl-3-[2-(propan-2-ylamino)ethyl]urea

C12H25N3O — CID 62664578

IUPAC1-cyclohexyl-3-[2-(propan-2-ylamino)ethyl]urea
SMILESCC(C)NCCNC(=O)NC1CCCCC1
InChIInChI=1S/C12H25N3O/c1-10(2)13-8-9-14-12(16)15-11-6-4-3-5-7-11/h10-11,13H,3-9H2,1-2H3,(H2,14,15,16)
InChIKeyRTANICNQSFBOMT-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.62
Rot. Bonds5

About 1-cyclohexyl-3-[2-(propan-2-ylamino)ethyl]urea

1-cyclohexyl-3-[2-(propan-2-ylamino)ethyl]urea (PubChem CID 62664578) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 1-cyclohexyl-3-[2-(propan-2-ylamino)ethyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[2-(propan-2-ylamino)ethyl]urea
PubChem CID62664578
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name1-cyclohexyl-3-[2-(propan-2-ylamino)ethyl]urea
SMILESCC(C)NCCNC(=O)NC1CCCCC1
InChIInChI=1S/C12H25N3O/c1-10(2)13-8-9-14-12(16)15-11-6-4-3-5-7-11/h10-11,13H,3-9H2,1-2H3,(H2,14,15,16)
InChIKeyRTANICNQSFBOMT-UHFFFAOYSA-N
XLogP1.62
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-cyclopentyl-3-[2-(2-hydroxypropylamino)ethyl]urea
CID 104593877
1-(3-aminobutyl)-3-cyclohexylurea
CID 63253951
1-cyclopentyl-3-(3-hydroxybutyl)urea
CID 78964917
1-cyclohexyl-3-[2-(ethylamino)ethyl]urea
CID 62663846
1-cyclohexyl-3-[2-[di(propan-2-yl)amino]ethyl]urea
CID 115569818
1-cyclopentyl-3-propylurea
CID 14343339
1-cyclopentyl-3-[(2R)-2-hydroxypropyl]urea
CID 83040450
5-(cyclopentylcarbamoylamino)-2-methylpentanoic acid
CID 104682816
ethyl 3-(cyclohexylcarbamoylamino)propanoate
CID 61173677
2-cycloheptyl-N-[2-(propan-2-ylamino)ethyl]acetamide
CID 114458404
3-(cyclopentylcarbamoylamino)-2-methylpropanoic acid
CID 62670962
N-butan-2-yl-4-(cyclohexylcarbamoylamino)butanamide
CID 134056980

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[2-(propan-2-ylamino)ethyl]urea?
The IUPAC name of 1-cyclohexyl-3-[2-(propan-2-ylamino)ethyl]urea (CID 62664578) is 1-cyclohexyl-3-[2-(propan-2-ylamino)ethyl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[2-(propan-2-ylamino)ethyl]urea?
The canonical SMILES for 1-cyclohexyl-3-[2-(propan-2-ylamino)ethyl]urea is CC(C)NCCNC(=O)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-[2-(propan-2-ylamino)ethyl]urea?
The InChIKey is RTANICNQSFBOMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-10(2)13-8-9-14-12(16)15-11-6-4-3-5-7-11/h10-11,13H,3-9H2,1-2H3,(H2,14,15,16).
What are the key properties of 1-cyclohexyl-3-[2-(propan-2-ylamino)ethyl]urea?
1-cyclohexyl-3-[2-(propan-2-ylamino)ethyl]urea has a molecular weight of 227.35 g/mol, XLogP of 1.62, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[2-(propan-2-ylamino)ethyl]urea is sourced from PubChem (CID 62664578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).