1-(3-amino-1-bicyclo[1.1.1]pentanyl)-3-(2-methylpropyl)urea

C10H19N3O — CID 165478084

IUPAC1-(3-amino-1-bicyclo[1.1.1]pentanyl)-3-(2-methylpropyl)urea
SMILESCC(C)CNC(=O)NC12CC(N)(C1)C2
InChIInChI=1S/C10H19N3O/c1-7(2)3-12-8(14)13-10-4-9(11,5-10)6-10/h7H,3-6,11H2,1-2H3,(H2,12,13,14)
InChIKeyOJAQLSKCCPPNMC-UHFFFAOYSA-N
MW197.28 g/mol
LogP0.58
Rot. Bonds3

About 1-(3-amino-1-bicyclo[1.1.1]pentanyl)-3-(2-methylpropyl)urea

1-(3-amino-1-bicyclo[1.1.1]pentanyl)-3-(2-methylpropyl)urea (PubChem CID 165478084) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 1-(3-amino-1-bicyclo[1.1.1]pentanyl)-3-(2-methylpropyl)urea.

Molecular Properties

Compound Name1-(3-amino-1-bicyclo[1.1.1]pentanyl)-3-(2-methylpropyl)urea
PubChem CID165478084
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name1-(3-amino-1-bicyclo[1.1.1]pentanyl)-3-(2-methylpropyl)urea
SMILESCC(C)CNC(=O)NC12CC(N)(C1)C2
InChIInChI=1S/C10H19N3O/c1-7(2)3-12-8(14)13-10-4-9(11,5-10)6-10/h7H,3-6,11H2,1-2H3,(H2,12,13,14)
InChIKeyOJAQLSKCCPPNMC-UHFFFAOYSA-N
XLogP0.58
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-methylpropylcarbamoylamino)bicyclo[2.2.2]octane-1-carboxylic acid
CID 162369967
1-(3-amino-1-bicyclo[1.1.1]pentanyl)-3-tert-butylurea
CID 165478082
1-(1,4-dimethylpiperidin-4-yl)-3-(2-methylpropyl)urea
CID 134434403
1-(1-adamantyl)-3-(2-aminopropyl)urea
CID 63731476
2,6-dimethyl-1-(2-methylpropylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 43184768
2-[1-(2-methylpropylcarbamoylamino)cyclohexyl]acetic acid
CID 64702378
1-(3-methyl-1,1-dioxothiolan-3-yl)-3-(2-methylpropyl)urea
CID 3436222
1-(1-adamantyl)-3-(3-amino-2-methylpropyl)urea
CID 62666112
1-(2-methylpropyl)-3-(2-sulfanylpropyl)urea
CID 163779477
1-(1-aminoethenyl)-3-(2-methylpropyl)urea
CID 18721993
1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(2-methylpropyl)urea
CID 111573291
4-ethyl-1-(2-methylpropylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 60710261

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-1-bicyclo[1.1.1]pentanyl)-3-(2-methylpropyl)urea?
The IUPAC name of 1-(3-amino-1-bicyclo[1.1.1]pentanyl)-3-(2-methylpropyl)urea (CID 165478084) is 1-(3-amino-1-bicyclo[1.1.1]pentanyl)-3-(2-methylpropyl)urea.
What is the SMILES notation for 1-(3-amino-1-bicyclo[1.1.1]pentanyl)-3-(2-methylpropyl)urea?
The canonical SMILES for 1-(3-amino-1-bicyclo[1.1.1]pentanyl)-3-(2-methylpropyl)urea is CC(C)CNC(=O)NC12CC(N)(C1)C2.
What is the InChIKey of 1-(3-amino-1-bicyclo[1.1.1]pentanyl)-3-(2-methylpropyl)urea?
The InChIKey is OJAQLSKCCPPNMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-7(2)3-12-8(14)13-10-4-9(11,5-10)6-10/h7H,3-6,11H2,1-2H3,(H2,12,13,14).
What are the key properties of 1-(3-amino-1-bicyclo[1.1.1]pentanyl)-3-(2-methylpropyl)urea?
1-(3-amino-1-bicyclo[1.1.1]pentanyl)-3-(2-methylpropyl)urea has a molecular weight of 197.28 g/mol, XLogP of 0.58, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-1-bicyclo[1.1.1]pentanyl)-3-(2-methylpropyl)urea is sourced from PubChem (CID 165478084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).