1-(2-aminoethyl)-3-cyclopropyl-1-propylurea

C9H19N3O — CID 62698156

IUPAC1-(2-aminoethyl)-3-cyclopropyl-1-propylurea
SMILESCCCN(CCN)C(=O)NC1CC1
InChIInChI=1S/C9H19N3O/c1-2-6-12(7-5-10)9(13)11-8-3-4-8/h8H,2-7,10H2,1H3,(H,11,13)
InChIKeyXHRDHZWNTMLABK-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.53
Rot. Bonds5

About 1-(2-aminoethyl)-3-cyclopropyl-1-propylurea

1-(2-aminoethyl)-3-cyclopropyl-1-propylurea (PubChem CID 62698156) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is 1-(2-aminoethyl)-3-cyclopropyl-1-propylurea.

Molecular Properties

Compound Name1-(2-aminoethyl)-3-cyclopropyl-1-propylurea
PubChem CID62698156
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Name1-(2-aminoethyl)-3-cyclopropyl-1-propylurea
SMILESCCCN(CCN)C(=O)NC1CC1
InChIInChI=1S/C9H19N3O/c1-2-6-12(7-5-10)9(13)11-8-3-4-8/h8H,2-7,10H2,1H3,(H,11,13)
InChIKeyXHRDHZWNTMLABK-UHFFFAOYSA-N
XLogP0.53
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(2-aminoethyl)-3-cyclopropyl-1-propylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-aminopropyl)-3-cyclobutyl-1-propylurea
CID 116658088
1-(2-aminoethyl)-3-cyclobutyl-1-ethylurea
CID 116658119
1-butyl-3-cyclopentyl-1-propylurea
CID 108902721
2-[cyclopropylcarbamoyl(propyl)amino]-N,N-dimethylacetamide
CID 115590449
3-cyclohexyl-1-[2-(dimethylamino)ethyl]-1-propylurea
CID 113231661
3-cyclopropyl-1-(piperidin-4-ylmethyl)-1-propylurea
CID 79721029
4-[[cyclohexylmethyl(propyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 122025047
3-(1-ethylpiperidin-4-yl)-1-(2-hydroxyethyl)-1-propylurea
CID 110882613
1-(2-aminoethyl)-3-cyclopentyl-1-(2,2,2-trifluoroethyl)urea
CID 107493788
3-cyclobutyl-1-propyl-1-(2,2,2-trifluoroethyl)urea
CID 116655133
1-(2-aminoethyl)-3-cyclobutyl-1-methylurea
CID 82503265
2-[oxan-4-ylcarbamoyl(propyl)amino]acetic acid
CID 55032022

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-3-cyclopropyl-1-propylurea?
The IUPAC name of 1-(2-aminoethyl)-3-cyclopropyl-1-propylurea (CID 62698156) is 1-(2-aminoethyl)-3-cyclopropyl-1-propylurea.
What is the SMILES notation for 1-(2-aminoethyl)-3-cyclopropyl-1-propylurea?
The canonical SMILES for 1-(2-aminoethyl)-3-cyclopropyl-1-propylurea is CCCN(CCN)C(=O)NC1CC1.
What is the InChIKey of 1-(2-aminoethyl)-3-cyclopropyl-1-propylurea?
The InChIKey is XHRDHZWNTMLABK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O/c1-2-6-12(7-5-10)9(13)11-8-3-4-8/h8H,2-7,10H2,1H3,(H,11,13).
What are the key properties of 1-(2-aminoethyl)-3-cyclopropyl-1-propylurea?
1-(2-aminoethyl)-3-cyclopropyl-1-propylurea has a molecular weight of 185.27 g/mol, XLogP of 0.53, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-3-cyclopropyl-1-propylurea is sourced from PubChem (CID 62698156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).