1-(4-aminopentyl)-3-(oxolan-3-yl)urea

C10H21N3O2 — CID 106125032

IUPAC1-(4-aminopentyl)-3-(oxolan-3-yl)urea
SMILESCC(N)CCCNC(=O)NC1CCOC1
InChIInChI=1S/C10H21N3O2/c1-8(11)3-2-5-12-10(14)13-9-4-6-15-7-9/h8-9H,2-7,11H2,1H3,(H2,12,13,14)
InChIKeySUJYAOBAEIICLX-UHFFFAOYSA-N
MW215.30 g/mol
LogP0.20
Rot. Bonds5

About 1-(4-aminopentyl)-3-(oxolan-3-yl)urea

1-(4-aminopentyl)-3-(oxolan-3-yl)urea (PubChem CID 106125032) has the molecular formula C10H21N3O2 and a molecular weight of 215.30 g/mol. Its IUPAC name is 1-(4-aminopentyl)-3-(oxolan-3-yl)urea.

Molecular Properties

Compound Name1-(4-aminopentyl)-3-(oxolan-3-yl)urea
PubChem CID106125032
Molecular FormulaC10H21N3O2
Molecular Weight215.30 g/mol
Exact Mass215.16
IUPAC Name1-(4-aminopentyl)-3-(oxolan-3-yl)urea
SMILESCC(N)CCCNC(=O)NC1CCOC1
InChIInChI=1S/C10H21N3O2/c1-8(11)3-2-5-12-10(14)13-9-4-6-15-7-9/h8-9H,2-7,11H2,1H3,(H2,12,13,14)
InChIKeySUJYAOBAEIICLX-UHFFFAOYSA-N
XLogP0.20
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 50.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(4-aminopentyl)-3-(oxolan-3-yl)urea 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-(5-amino-4-methylpentyl)-3-(oxolan-3-yl)urea
CID 106153750
1-butyl-3-(oxolan-3-yl)urea
CID 115755742
1-[4-[methyl(propan-2-yl)amino]butyl]-3-(oxolan-3-yl)urea
CID 115758991
N-[2-(oxolan-3-ylcarbamoylamino)ethyl]acetamide
CID 115759237
1-(oxolan-3-yl)-3-(3-propoxypropyl)urea
CID 116657253
1-[2-[butan-2-yl(methyl)amino]ethyl]-3-(oxolan-3-yl)urea
CID 113321959
2-amino-N-(oxolan-3-yl)hexanamide
CID 80713232
1-(oxolan-3-yl)-3-(2,3,3-trimethylbutyl)urea
CID 115759088
6-amino-2-methyl-N-(oxan-4-yl)heptanamide
CID 65290448
1-(3-aminobutyl)-3-cyclohexylurea
CID 63253951
4-(oxan-3-ylcarbamoylamino)butanoic acid
CID 63361595
1-[2-(2-methylprop-2-enoxy)ethyl]-3-(oxolan-3-yl)urea
CID 115759183

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminopentyl)-3-(oxolan-3-yl)urea?
The IUPAC name of 1-(4-aminopentyl)-3-(oxolan-3-yl)urea (CID 106125032) is 1-(4-aminopentyl)-3-(oxolan-3-yl)urea.
What is the SMILES notation for 1-(4-aminopentyl)-3-(oxolan-3-yl)urea?
The canonical SMILES for 1-(4-aminopentyl)-3-(oxolan-3-yl)urea is CC(N)CCCNC(=O)NC1CCOC1.
What is the InChIKey of 1-(4-aminopentyl)-3-(oxolan-3-yl)urea?
The InChIKey is SUJYAOBAEIICLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2/c1-8(11)3-2-5-12-10(14)13-9-4-6-15-7-9/h8-9H,2-7,11H2,1H3,(H2,12,13,14).
What are the key properties of 1-(4-aminopentyl)-3-(oxolan-3-yl)urea?
1-(4-aminopentyl)-3-(oxolan-3-yl)urea has a molecular weight of 215.30 g/mol, XLogP of 0.20, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminopentyl)-3-(oxolan-3-yl)urea is sourced from PubChem (CID 106125032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).