1-(3-aminopropyl)-1-cyclobutyl-3-cyclohexylurea

C14H27N3O — CID 102874242

IUPAC1-(3-aminopropyl)-1-cyclobutyl-3-cyclohexylurea
SMILESNCCCN(C(=O)NC1CCCCC1)C1CCC1
InChIInChI=1S/C14H27N3O/c15-10-5-11-17(13-8-4-9-13)14(18)16-12-6-2-1-3-7-12/h12-13H,1-11,15H2,(H,16,18)
InChIKeyHANAHLHLWAMCFY-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.23
Rot. Bonds5

About 1-(3-aminopropyl)-1-cyclobutyl-3-cyclohexylurea

1-(3-aminopropyl)-1-cyclobutyl-3-cyclohexylurea (PubChem CID 102874242) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 1-(3-aminopropyl)-1-cyclobutyl-3-cyclohexylurea.

Molecular Properties

Compound Name1-(3-aminopropyl)-1-cyclobutyl-3-cyclohexylurea
PubChem CID102874242
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name1-(3-aminopropyl)-1-cyclobutyl-3-cyclohexylurea
SMILESNCCCN(C(=O)NC1CCCCC1)C1CCC1
InChIInChI=1S/C14H27N3O/c15-10-5-11-17(13-8-4-9-13)14(18)16-12-6-2-1-3-7-12/h12-13H,1-11,15H2,(H,16,18)
InChIKeyHANAHLHLWAMCFY-UHFFFAOYSA-N
XLogP2.23
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-aminopropyl(cyclohexyl)amino]-N-cyclopentylacetamide
CID 43319655
3-[cyclooctylcarbamoyl(cyclopropyl)amino]propanoic acid
CID 61181431
2-[3-aminopropyl(cyclopentyl)amino]-N-cyclopentylacetamide
CID 43319618
1-(3-aminopropyl)-3-cyclobutyl-1-propylurea
CID 116658088
1-(2-aminoethyl)-3-cyclobutyl-1-methylurea
CID 82503265
N-(3-aminopropyl)-N-cyclohexylcycloheptanecarboxamide
CID 62586831
3-amino-N-(3-aminopropyl)-N-cyclohexylpropanamide
CID 134484716
1-(3-aminopropyl)-3-tert-butyl-1-cyclobutylurea
CID 102874239
3-cyclobutyl-1-cyclopentyl-1-(3-methylbutyl)urea
CID 115642218
2-[3-aminopropyl(cyclopropyl)amino]-N-cyclohexylacetamide
CID 43137540
1-(3-aminopropyl)-1-cycloheptyl-3,3-dimethylurea
CID 79153945
1-(3-aminopropyl)-3-cyclohexyl-1-phenylurea
CID 16783058

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopropyl)-1-cyclobutyl-3-cyclohexylurea?
The IUPAC name of 1-(3-aminopropyl)-1-cyclobutyl-3-cyclohexylurea (CID 102874242) is 1-(3-aminopropyl)-1-cyclobutyl-3-cyclohexylurea.
What is the SMILES notation for 1-(3-aminopropyl)-1-cyclobutyl-3-cyclohexylurea?
The canonical SMILES for 1-(3-aminopropyl)-1-cyclobutyl-3-cyclohexylurea is NCCCN(C(=O)NC1CCCCC1)C1CCC1.
What is the InChIKey of 1-(3-aminopropyl)-1-cyclobutyl-3-cyclohexylurea?
The InChIKey is HANAHLHLWAMCFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c15-10-5-11-17(13-8-4-9-13)14(18)16-12-6-2-1-3-7-12/h12-13H,1-11,15H2,(H,16,18).
What are the key properties of 1-(3-aminopropyl)-1-cyclobutyl-3-cyclohexylurea?
1-(3-aminopropyl)-1-cyclobutyl-3-cyclohexylurea has a molecular weight of 253.39 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopropyl)-1-cyclobutyl-3-cyclohexylurea is sourced from PubChem (CID 102874242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).