1-cyclohexyl-1,3,3-triethylurea

C13H26N2O — CID 2985663

IUPAC1-cyclohexyl-1,3,3-triethylurea
SMILESCCN(CC)C(=O)N(CC)C1CCCCC1
InChIInChI=1S/C13H26N2O/c1-4-14(5-2)13(16)15(6-3)12-10-8-7-9-11-12/h12H,4-11H2,1-3H3
InChIKeyKXFQROPATKJGAG-UHFFFAOYSA-N
MW226.36 g/mol
LogP3.10
Rot. Bonds4

About 1-cyclohexyl-1,3,3-triethylurea

1-cyclohexyl-1,3,3-triethylurea (PubChem CID 2985663) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 1-cyclohexyl-1,3,3-triethylurea.

Molecular Properties

Compound Name1-cyclohexyl-1,3,3-triethylurea
PubChem CID2985663
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name1-cyclohexyl-1,3,3-triethylurea
SMILESCCN(CC)C(=O)N(CC)C1CCCCC1
InChIInChI=1S/C13H26N2O/c1-4-14(5-2)13(16)15(6-3)12-10-8-7-9-11-12/h12H,4-11H2,1-3H3
InChIKeyKXFQROPATKJGAG-UHFFFAOYSA-N
XLogP3.10
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-Piperidinecarboxamide, N,N-dimethyl-
CID 99268
Urea, N'-cyclohexyl-N,N-dimethyl-
CID 4594662
N-[2-(diethylamino)ethyl](cyclohexylamino)carboxamide
CID 2054543
1,1-Dicyclohexyl-3-methylurea
CID 308068
3-Cyclohexyl-1,1-diethylurea
CID 4338720
3-Cyclohexyl-1,1-dipropylurea
CID 5093082
3-Cyclohexyl-1,1-dibutylurea
CID 3398150
3-Cyclohexyl-1,1-diisobutylurea
CID 4078219
Dicyclohexylisourea
CID 19906651
N,N-diethylpiperidine-1-carboxamide
CID 306073
1,1-Dibutan-2-yl-3-cyclohexylurea
CID 6467938
1-Cyclohexyl-1,3,3-trimethylurea
CID 59165080

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-1,3,3-triethylurea?
The IUPAC name of 1-cyclohexyl-1,3,3-triethylurea (CID 2985663) is 1-cyclohexyl-1,3,3-triethylurea.
What is the SMILES notation for 1-cyclohexyl-1,3,3-triethylurea?
The canonical SMILES for 1-cyclohexyl-1,3,3-triethylurea is CCN(CC)C(=O)N(CC)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-1,3,3-triethylurea?
The InChIKey is KXFQROPATKJGAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-4-14(5-2)13(16)15(6-3)12-10-8-7-9-11-12/h12H,4-11H2,1-3H3.
What are the key properties of 1-cyclohexyl-1,3,3-triethylurea?
1-cyclohexyl-1,3,3-triethylurea has a molecular weight of 226.36 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-1,3,3-triethylurea is sourced from PubChem (CID 2985663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).