(4-amino-4-methylpentyl)urea

C7H17N3O — CID 146343367

IUPAC(4-amino-4-methylpentyl)urea
SMILESCC(C)(N)CCCNC(N)=O
InChIInChI=1S/C7H17N3O/c1-7(2,9)4-3-5-10-6(8)11/h3-5,9H2,1-2H3,(H3,8,10,11)
InChIKeyHKUGRLFBXYQNTB-UHFFFAOYSA-N
MW159.23 g/mol
LogP0.17
Rot. Bonds4

About (4-amino-4-methylpentyl)urea

(4-amino-4-methylpentyl)urea (PubChem CID 146343367) has the molecular formula C7H17N3O and a molecular weight of 159.23 g/mol. Its IUPAC name is (4-amino-4-methylpentyl)urea.

Molecular Properties

Compound Name(4-amino-4-methylpentyl)urea
PubChem CID146343367
Molecular FormulaC7H17N3O
Molecular Weight159.23 g/mol
Exact Mass159.14
IUPAC Name(4-amino-4-methylpentyl)urea
SMILESCC(C)(N)CCCNC(N)=O
InChIInChI=1S/C7H17N3O/c1-7(2,9)4-3-5-10-6(8)11/h3-5,9H2,1-2H3,(H3,8,10,11)
InChIKeyHKUGRLFBXYQNTB-UHFFFAOYSA-N
XLogP0.17
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 50.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (4-amino-4-methylpentyl)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

2-amino-5-(carbamoylamino)-2-methylsulfanylpentanoic acid
CID 18767599
1-tert-butyl-3-[4-(carbamoylamino)butyl]urea
CID 129172648
1,3-bis(3-amino-3-methylbutyl)urea
CID 57132774
pentylurea;hydrate
CID 172845599
(4-chloro-3,3-dimethylbutyl)urea
CID 163934106
2-(3,3-dimethylbutylamino)ethylurea
CID 83109796
3-chloropropylurea
CID 6421120
(6-amino-2,6-dimethylheptan-2-yl) carbamate;hydrochloride
CID 162340751
3-methoxypropylurea
CID 2064040
butylurea;silicic acid
CID 86735760
12-hydroxydodecylurea
CID 57265418
5-(carbamoylamino)pentanamide;hydrochloride
CID 175794567

Frequently Asked Questions

What is the IUPAC name of (4-amino-4-methylpentyl)urea?
The IUPAC name of (4-amino-4-methylpentyl)urea (CID 146343367) is (4-amino-4-methylpentyl)urea.
What is the SMILES notation for (4-amino-4-methylpentyl)urea?
The canonical SMILES for (4-amino-4-methylpentyl)urea is CC(C)(N)CCCNC(N)=O.
What is the InChIKey of (4-amino-4-methylpentyl)urea?
The InChIKey is HKUGRLFBXYQNTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N3O/c1-7(2,9)4-3-5-10-6(8)11/h3-5,9H2,1-2H3,(H3,8,10,11).
What are the key properties of (4-amino-4-methylpentyl)urea?
(4-amino-4-methylpentyl)urea has a molecular weight of 159.23 g/mol, XLogP of 0.17, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-4-methylpentyl)urea is sourced from PubChem (CID 146343367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).