1-(3-aminopropyl)-3-tert-butyl-1-cyclobutylurea

C12H25N3O — CID 102874239

IUPAC1-(3-aminopropyl)-3-tert-butyl-1-cyclobutylurea
SMILESCC(C)(C)NC(=O)N(CCCN)C1CCC1
InChIInChI=1S/C12H25N3O/c1-12(2,3)14-11(16)15(9-5-8-13)10-6-4-7-10/h10H,4-9,13H2,1-3H3,(H,14,16)
InChIKeyXGJNENXQXGGFGT-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.70
Rot. Bonds4

About 1-(3-aminopropyl)-3-tert-butyl-1-cyclobutylurea

1-(3-aminopropyl)-3-tert-butyl-1-cyclobutylurea (PubChem CID 102874239) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 1-(3-aminopropyl)-3-tert-butyl-1-cyclobutylurea.

Molecular Properties

Compound Name1-(3-aminopropyl)-3-tert-butyl-1-cyclobutylurea
PubChem CID102874239
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name1-(3-aminopropyl)-3-tert-butyl-1-cyclobutylurea
SMILESCC(C)(C)NC(=O)N(CCCN)C1CCC1
InChIInChI=1S/C12H25N3O/c1-12(2,3)14-11(16)15(9-5-8-13)10-6-4-7-10/h10H,4-9,13H2,1-3H3,(H,14,16)
InChIKeyXGJNENXQXGGFGT-UHFFFAOYSA-N
XLogP1.70
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-aminopropyl)-N-cyclohexyl-2,2-dimethylpropanamide
CID 43136880
1-(3-aminopropyl)-1-cyclobutyl-3-cyclohexylurea
CID 102874242
N-(3-aminopropyl)-N-cycloheptyl-3,3-dimethylbutanamide
CID 43319428
2-[3-aminopropyl(cyclohexyl)amino]-N-tert-butylpropanamide
CID 43137650
1-(3-aminopropyl)-1-cycloheptyl-3,3-dimethylurea
CID 79153945
methyl N-(3-aminopropyl)-N-cyclopropylcarbamate
CID 43137085
1-(3-aminopropyl)-1-cyclopentyl-3-phenylurea
CID 43319508
3-amino-N-(3-aminopropyl)-N-cyclohexylpropanamide
CID 134484716
N-(3-aminopropyl)-N-cyclohexylcycloheptanecarboxamide
CID 62586831
1-(2-aminoethyl)-1-cyclobutyl-3-propan-2-ylurea
CID 102874287
N-(3-aminopropyl)-N-cycloheptylbutanamide
CID 43136885
N-(3-aminopropyl)-N-cyclobutylhexanamide
CID 102873870

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopropyl)-3-tert-butyl-1-cyclobutylurea?
The IUPAC name of 1-(3-aminopropyl)-3-tert-butyl-1-cyclobutylurea (CID 102874239) is 1-(3-aminopropyl)-3-tert-butyl-1-cyclobutylurea.
What is the SMILES notation for 1-(3-aminopropyl)-3-tert-butyl-1-cyclobutylurea?
The canonical SMILES for 1-(3-aminopropyl)-3-tert-butyl-1-cyclobutylurea is CC(C)(C)NC(=O)N(CCCN)C1CCC1.
What is the InChIKey of 1-(3-aminopropyl)-3-tert-butyl-1-cyclobutylurea?
The InChIKey is XGJNENXQXGGFGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-12(2,3)14-11(16)15(9-5-8-13)10-6-4-7-10/h10H,4-9,13H2,1-3H3,(H,14,16).
What are the key properties of 1-(3-aminopropyl)-3-tert-butyl-1-cyclobutylurea?
1-(3-aminopropyl)-3-tert-butyl-1-cyclobutylurea has a molecular weight of 227.35 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopropyl)-3-tert-butyl-1-cyclobutylurea is sourced from PubChem (CID 102874239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).