1-(3-aminopropyl)-3-(2,2-dimethylpropyl)urea

C9H21N3O — CID 117235686

IUPAC1-(3-aminopropyl)-3-(2,2-dimethylpropyl)urea
SMILESCC(C)(C)CNC(=O)NCCCN
InChIInChI=1S/C9H21N3O/c1-9(2,3)7-12-8(13)11-6-4-5-10/h4-7,10H2,1-3H3,(H2,11,12,13)
InChIKeyXLZANLKPRGLCHW-UHFFFAOYSA-N
MW187.29 g/mol
LogP0.68
Rot. Bonds4

About 1-(3-aminopropyl)-3-(2,2-dimethylpropyl)urea

1-(3-aminopropyl)-3-(2,2-dimethylpropyl)urea (PubChem CID 117235686) has the molecular formula C9H21N3O and a molecular weight of 187.29 g/mol. Its IUPAC name is 1-(3-aminopropyl)-3-(2,2-dimethylpropyl)urea.

Molecular Properties

Compound Name1-(3-aminopropyl)-3-(2,2-dimethylpropyl)urea
PubChem CID117235686
Molecular FormulaC9H21N3O
Molecular Weight187.29 g/mol
Exact Mass187.17
IUPAC Name1-(3-aminopropyl)-3-(2,2-dimethylpropyl)urea
SMILESCC(C)(C)CNC(=O)NCCCN
InChIInChI=1S/C9H21N3O/c1-9(2,3)7-12-8(13)11-6-4-5-10/h4-7,10H2,1-3H3,(H2,11,12,13)
InChIKeyXLZANLKPRGLCHW-UHFFFAOYSA-N
XLogP0.68
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(3-aminopropyl)-3-(2,2-dimethylpropyl)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-(2-aminoethyl)-3-(3-aminopropyl)urea
CID 154943147
1-(2,2-dimethylpropyl)-3-(6-methylheptyl)urea
CID 156566869
1-(3-aminopropyl)-3-octadecylurea
CID 54170703
1-(3-aminopropyl)-3-(2-methylpropyl)urea
CID 117235685
1-(3-aminopropyl)-3-ethylurea;2,2,2-trifluoroacetic acid
CID 87130105
1-(4-aminobutyl)-3-[4-(hexadecylcarbamoylamino)butyl]urea
CID 101384576
1-butyl-3-[2,2-dimethyl-3-(methylamino)propyl]urea
CID 22381505
N-(3-aminopropyl)-2-ethyl-2-methylbutanamide
CID 88552246
2-(2,2-dimethylpropylcarbamoylamino)-2-methylpropanoic acid
CID 61266743
1-(2-aminoethyl)-3-pentylurea
CID 87091814
3-aminopropylcarbamic acid
CID 3023499
1-(3-aminopropyl)-3-[2-(4-methylpiperazin-1-yl)ethyl]urea
CID 117235833

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopropyl)-3-(2,2-dimethylpropyl)urea?
The IUPAC name of 1-(3-aminopropyl)-3-(2,2-dimethylpropyl)urea (CID 117235686) is 1-(3-aminopropyl)-3-(2,2-dimethylpropyl)urea.
What is the SMILES notation for 1-(3-aminopropyl)-3-(2,2-dimethylpropyl)urea?
The canonical SMILES for 1-(3-aminopropyl)-3-(2,2-dimethylpropyl)urea is CC(C)(C)CNC(=O)NCCCN.
What is the InChIKey of 1-(3-aminopropyl)-3-(2,2-dimethylpropyl)urea?
The InChIKey is XLZANLKPRGLCHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O/c1-9(2,3)7-12-8(13)11-6-4-5-10/h4-7,10H2,1-3H3,(H2,11,12,13).
What are the key properties of 1-(3-aminopropyl)-3-(2,2-dimethylpropyl)urea?
1-(3-aminopropyl)-3-(2,2-dimethylpropyl)urea has a molecular weight of 187.29 g/mol, XLogP of 0.68, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopropyl)-3-(2,2-dimethylpropyl)urea is sourced from PubChem (CID 117235686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).