3-cyclohexyl-1-[2-(dimethylamino)ethyl]-1-propylurea

C14H29N3O — CID 113231661

IUPAC3-cyclohexyl-1-[2-(dimethylamino)ethyl]-1-propylurea
SMILESCCCN(CCN(C)C)C(=O)NC1CCCCC1
InChIInChI=1S/C14H29N3O/c1-4-10-17(12-11-16(2)3)14(18)15-13-8-6-5-7-9-13/h13H,4-12H2,1-3H3,(H,15,18)
InChIKeyKOADABIJBFTIHV-UHFFFAOYSA-N
MW255.41 g/mol
LogP2.30
Rot. Bonds6

About 3-cyclohexyl-1-[2-(dimethylamino)ethyl]-1-propylurea

3-cyclohexyl-1-[2-(dimethylamino)ethyl]-1-propylurea (PubChem CID 113231661) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is 3-cyclohexyl-1-[2-(dimethylamino)ethyl]-1-propylurea.

Molecular Properties

Compound Name3-cyclohexyl-1-[2-(dimethylamino)ethyl]-1-propylurea
PubChem CID113231661
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name3-cyclohexyl-1-[2-(dimethylamino)ethyl]-1-propylurea
SMILESCCCN(CCN(C)C)C(=O)NC1CCCCC1
InChIInChI=1S/C14H29N3O/c1-4-10-17(12-11-16(2)3)14(18)15-13-8-6-5-7-9-13/h13H,4-12H2,1-3H3,(H,15,18)
InChIKeyKOADABIJBFTIHV-UHFFFAOYSA-N
XLogP2.30
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-butyl-3-cyclopentyl-1-propylurea
CID 108902721
3-cyclopentyl-1-[3-(dimethylamino)propyl]-1-ethylurea
CID 102974783
1-(3-aminopropyl)-3-cyclobutyl-1-propylurea
CID 116658088
1-(2-aminoethyl)-3-cyclopropyl-1-propylurea
CID 62698156
3-cyclobutyl-1-[2-(dimethylamino)ethyl]-1-methylurea
CID 115672508
4-[[cyclohexylmethyl(propyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 122025047
3-cyclobutyl-1-propyl-1-(2,2,2-trifluoroethyl)urea
CID 116655133
2-[cyclohexylcarbamoyl(ethyl)amino]acetamide
CID 103101665
3-cyclohexyl-1-ethyl-1-(2-methylprop-2-enyl)urea
CID 115573886
1-(2-cyanoethyl)-1-[2-[2-cyanoethyl(cyclohexylcarbamoyl)amino]ethyl]-3-cyclohexylurea
CID 4134451
2-[cyclopropylcarbamoyl(propyl)amino]-N,N-dimethylacetamide
CID 115590449
3-cyclohexyl-1-ethyl-1-(2-hydroxy-2-methylpropyl)urea
CID 79386772

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-[2-(dimethylamino)ethyl]-1-propylurea?
The IUPAC name of 3-cyclohexyl-1-[2-(dimethylamino)ethyl]-1-propylurea (CID 113231661) is 3-cyclohexyl-1-[2-(dimethylamino)ethyl]-1-propylurea.
What is the SMILES notation for 3-cyclohexyl-1-[2-(dimethylamino)ethyl]-1-propylurea?
The canonical SMILES for 3-cyclohexyl-1-[2-(dimethylamino)ethyl]-1-propylurea is CCCN(CCN(C)C)C(=O)NC1CCCCC1.
What is the InChIKey of 3-cyclohexyl-1-[2-(dimethylamino)ethyl]-1-propylurea?
The InChIKey is KOADABIJBFTIHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-4-10-17(12-11-16(2)3)14(18)15-13-8-6-5-7-9-13/h13H,4-12H2,1-3H3,(H,15,18).
What are the key properties of 3-cyclohexyl-1-[2-(dimethylamino)ethyl]-1-propylurea?
3-cyclohexyl-1-[2-(dimethylamino)ethyl]-1-propylurea has a molecular weight of 255.41 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-[2-(dimethylamino)ethyl]-1-propylurea is sourced from PubChem (CID 113231661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).