1-(2-amino-2-iminoethyl)-1-cyclopentyl-3,3-diethylurea

C12H24N4O — CID 79161307

IUPAC1-(2-amino-2-iminoethyl)-1-cyclopentyl-3,3-diethylurea
SMILES[H]/N=C(\N)CN(C(=O)N(CC)CC)C1CCCC1
InChIInChI=1S/C12H24N4O/c1-3-15(4-2)12(17)16(9-11(13)14)10-7-5-6-8-10/h10H,3-9H2,1-2H3,(H3,13,14)
InChIKeyAAPVCNQXRXGYGI-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.63
Rot. Bonds5

About 1-(2-amino-2-iminoethyl)-1-cyclopentyl-3,3-diethylurea

1-(2-amino-2-iminoethyl)-1-cyclopentyl-3,3-diethylurea (PubChem CID 79161307) has the molecular formula C12H24N4O and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-(2-amino-2-iminoethyl)-1-cyclopentyl-3,3-diethylurea.

Molecular Properties

Compound Name1-(2-amino-2-iminoethyl)-1-cyclopentyl-3,3-diethylurea
PubChem CID79161307
Molecular FormulaC12H24N4O
Molecular Weight240.35 g/mol
Exact Mass240.20
IUPAC Name1-(2-amino-2-iminoethyl)-1-cyclopentyl-3,3-diethylurea
SMILES[H]/N=C(\N)CN(C(=O)N(CC)CC)C1CCCC1
InChIInChI=1S/C12H24N4O/c1-3-15(4-2)12(17)16(9-11(13)14)10-7-5-6-8-10/h10H,3-9H2,1-2H3,(H3,13,14)
InChIKeyAAPVCNQXRXGYGI-UHFFFAOYSA-N
XLogP1.63
TPSA73.42 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 1-(2-amino-2-iminoethyl)-1-cyclopentyl-3,3-diethylurea 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-cyclopentyl-3,3-diethyl-1-(2-hydroxyethyl)urea
CID 79161969
2-(diethylamino)ethanimidamide
CID 3259588
1-cyclohexyl-3-(diaminomethylidene)-1-ethylguanidine
CID 18769868
2-[cyclopentylsulfonyl(methyl)amino]ethanimidamide
CID 105361938
2-[(1,1-dioxothian-4-yl)-methylamino]ethanimidamide
CID 164654850
1-(3-aminopropyl)-1-cyclopropyl-3,3-diethylurea
CID 79154786
2-[cyclopentyl(3,3-dimethylbutylsulfonyl)amino]ethanimidamide
CID 103522003
4-[[cyclopentyl(diethylcarbamoyl)amino]methyl]benzoic acid
CID 160816137
1-cyclopentyl-1-ethylthiourea
CID 43541105
1,1-dicyclopentylguanidine
CID 19841614
N-cyclopentyl-N-ethyl-2-methylpropanamide
CID 60738891
2-[cyclopropylmethyl(propyl)amino]ethanimidamide
CID 61441797

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-2-iminoethyl)-1-cyclopentyl-3,3-diethylurea?
The IUPAC name of 1-(2-amino-2-iminoethyl)-1-cyclopentyl-3,3-diethylurea (CID 79161307) is 1-(2-amino-2-iminoethyl)-1-cyclopentyl-3,3-diethylurea.
What is the SMILES notation for 1-(2-amino-2-iminoethyl)-1-cyclopentyl-3,3-diethylurea?
The canonical SMILES for 1-(2-amino-2-iminoethyl)-1-cyclopentyl-3,3-diethylurea is [H]/N=C(\N)CN(C(=O)N(CC)CC)C1CCCC1.
What is the InChIKey of 1-(2-amino-2-iminoethyl)-1-cyclopentyl-3,3-diethylurea?
The InChIKey is AAPVCNQXRXGYGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O/c1-3-15(4-2)12(17)16(9-11(13)14)10-7-5-6-8-10/h10H,3-9H2,1-2H3,(H3,13,14).
What are the key properties of 1-(2-amino-2-iminoethyl)-1-cyclopentyl-3,3-diethylurea?
1-(2-amino-2-iminoethyl)-1-cyclopentyl-3,3-diethylurea has a molecular weight of 240.35 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-2-iminoethyl)-1-cyclopentyl-3,3-diethylurea is sourced from PubChem (CID 79161307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).