1-(5-amino-4-methylpentyl)-3-(oxolan-3-yl)urea

C11H23N3O2 — CID 106153750

IUPAC1-(5-amino-4-methylpentyl)-3-(oxolan-3-yl)urea
SMILESCC(CN)CCCNC(=O)NC1CCOC1
InChIInChI=1S/C11H23N3O2/c1-9(7-12)3-2-5-13-11(15)14-10-4-6-16-8-10/h9-10H,2-8,12H2,1H3,(H2,13,14,15)
InChIKeyKNOGJSWXVIUXIX-UHFFFAOYSA-N
MW229.32 g/mol
LogP0.45
Rot. Bonds6

About 1-(5-amino-4-methylpentyl)-3-(oxolan-3-yl)urea

1-(5-amino-4-methylpentyl)-3-(oxolan-3-yl)urea (PubChem CID 106153750) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is 1-(5-amino-4-methylpentyl)-3-(oxolan-3-yl)urea.

Molecular Properties

Compound Name1-(5-amino-4-methylpentyl)-3-(oxolan-3-yl)urea
PubChem CID106153750
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC Name1-(5-amino-4-methylpentyl)-3-(oxolan-3-yl)urea
SMILESCC(CN)CCCNC(=O)NC1CCOC1
InChIInChI=1S/C11H23N3O2/c1-9(7-12)3-2-5-13-11(15)14-10-4-6-16-8-10/h9-10H,2-8,12H2,1H3,(H2,13,14,15)
InChIKeyKNOGJSWXVIUXIX-UHFFFAOYSA-N
XLogP0.45
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-aminopentyl)-3-(oxolan-3-yl)urea
CID 106125032
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
N-(5-amino-4-methylpentyl)oxane-3-carboxamide
CID 106153124
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
1-(oxolan-3-yl)-3-(2,3,3-trimethylbutyl)urea
CID 115759088
1-cyclobutyl-3-(5-hydroxy-4-methylpentyl)urea
CID 103860224
2-amino-N-(oxolan-3-yl)hexanamide
CID 80713232
4-(oxan-3-ylcarbamoylamino)butanoic acid
CID 63361595
2-methyl-5-(oxolan-3-ylamino)pentan-1-ol
CID 103859420

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-4-methylpentyl)-3-(oxolan-3-yl)urea?
The IUPAC name of 1-(5-amino-4-methylpentyl)-3-(oxolan-3-yl)urea (CID 106153750) is 1-(5-amino-4-methylpentyl)-3-(oxolan-3-yl)urea.
What is the SMILES notation for 1-(5-amino-4-methylpentyl)-3-(oxolan-3-yl)urea?
The canonical SMILES for 1-(5-amino-4-methylpentyl)-3-(oxolan-3-yl)urea is CC(CN)CCCNC(=O)NC1CCOC1.
What is the InChIKey of 1-(5-amino-4-methylpentyl)-3-(oxolan-3-yl)urea?
The InChIKey is KNOGJSWXVIUXIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-9(7-12)3-2-5-13-11(15)14-10-4-6-16-8-10/h9-10H,2-8,12H2,1H3,(H2,13,14,15).
What are the key properties of 1-(5-amino-4-methylpentyl)-3-(oxolan-3-yl)urea?
1-(5-amino-4-methylpentyl)-3-(oxolan-3-yl)urea has a molecular weight of 229.32 g/mol, XLogP of 0.45, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-4-methylpentyl)-3-(oxolan-3-yl)urea is sourced from PubChem (CID 106153750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).