1-(3-aminopropyl)-3-(2-methylpropyl)urea

C8H19N3O — CID 117235685

IUPAC1-(3-aminopropyl)-3-(2-methylpropyl)urea
SMILESCC(C)CNC(=O)NCCCN
InChIInChI=1S/C8H19N3O/c1-7(2)6-11-8(12)10-5-3-4-9/h7H,3-6,9H2,1-2H3,(H2,10,11,12)
InChIKeySLNOYYLGEVKKBV-UHFFFAOYSA-N
MW173.26 g/mol
LogP0.29
Rot. Bonds5

About 1-(3-aminopropyl)-3-(2-methylpropyl)urea

1-(3-aminopropyl)-3-(2-methylpropyl)urea (PubChem CID 117235685) has the molecular formula C8H19N3O and a molecular weight of 173.26 g/mol. Its IUPAC name is 1-(3-aminopropyl)-3-(2-methylpropyl)urea.

Molecular Properties

Compound Name1-(3-aminopropyl)-3-(2-methylpropyl)urea
PubChem CID117235685
Molecular FormulaC8H19N3O
Molecular Weight173.26 g/mol
Exact Mass173.15
IUPAC Name1-(3-aminopropyl)-3-(2-methylpropyl)urea
SMILESCC(C)CNC(=O)NCCCN
InChIInChI=1S/C8H19N3O/c1-7(2)6-11-8(12)10-5-3-4-9/h7H,3-6,9H2,1-2H3,(H2,10,11,12)
InChIKeySLNOYYLGEVKKBV-UHFFFAOYSA-N
XLogP0.29
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-aminoethyl)-3-(3-aminopropyl)urea
CID 154943147
(2S)-2-amino-3-(3-aminopropylcarbamoylamino)propanoic acid
CID 89124095
1-(2-chloroethyl)-3-(2-methylpropyl)urea
CID 13254213
4-amino-N-(3-aminopropyl)-2-methylbutanamide
CID 80543775
1-(3-aminopropyl)-3-octadecylurea
CID 54170703
N-(3-aminopropyl)-3-methylbutanamide
CID 23588483
N-(3-aminopropyl)-2-methylpropanamide;hydrochloride
CID 71757297
1-(3-aminopropyl)-3-(2,2-dimethylpropyl)urea
CID 117235686
(2S)-2-(3-aminopropylcarbamoylamino)-4-methylpentanoic acid
CID 62273310
ethyl N-[2-(2-methylpropylcarbamoylamino)ethyl]carbamate
CID 108867369
6-amino-N-(2-methylpropyl)hexanamide
CID 24696940
1-(2-aminopropyl)-3-butylurea
CID 63733148

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopropyl)-3-(2-methylpropyl)urea?
The IUPAC name of 1-(3-aminopropyl)-3-(2-methylpropyl)urea (CID 117235685) is 1-(3-aminopropyl)-3-(2-methylpropyl)urea.
What is the SMILES notation for 1-(3-aminopropyl)-3-(2-methylpropyl)urea?
The canonical SMILES for 1-(3-aminopropyl)-3-(2-methylpropyl)urea is CC(C)CNC(=O)NCCCN.
What is the InChIKey of 1-(3-aminopropyl)-3-(2-methylpropyl)urea?
The InChIKey is SLNOYYLGEVKKBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O/c1-7(2)6-11-8(12)10-5-3-4-9/h7H,3-6,9H2,1-2H3,(H2,10,11,12).
What are the key properties of 1-(3-aminopropyl)-3-(2-methylpropyl)urea?
1-(3-aminopropyl)-3-(2-methylpropyl)urea has a molecular weight of 173.26 g/mol, XLogP of 0.29, 5 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-methylpropyl)urea is sourced from PubChem (CID 117235685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).