1-(3-aminopropyl)-3-cyclobutyl-1-propylurea

C11H23N3O — CID 116658088

IUPAC1-(3-aminopropyl)-3-cyclobutyl-1-propylurea
SMILESCCCN(CCCN)C(=O)NC1CCC1
InChIInChI=1S/C11H23N3O/c1-2-8-14(9-4-7-12)11(15)13-10-5-3-6-10/h10H,2-9,12H2,1H3,(H,13,15)
InChIKeyKAMRXXYILMXTSR-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.31
Rot. Bonds6

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

1-(3-aminopropyl)-3-cyclobutyl-1-propylurea (PubChem CID 116658088) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is 1-(3-aminopropyl)-3-cyclobutyl-1-propylurea.

Molecular Properties

Compound Name1-(3-aminopropyl)-3-cyclobutyl-1-propylurea
PubChem CID116658088
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name1-(3-aminopropyl)-3-cyclobutyl-1-propylurea
SMILESCCCN(CCCN)C(=O)NC1CCC1
InChIInChI=1S/C11H23N3O/c1-2-8-14(9-4-7-12)11(15)13-10-5-3-6-10/h10H,2-9,12H2,1H3,(H,13,15)
InChIKeyKAMRXXYILMXTSR-UHFFFAOYSA-N
XLogP1.31
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-butyl-3-cyclopentyl-1-propylurea
CID 108902721
1-(2-aminoethyl)-3-cyclopropyl-1-propylurea
CID 62698156
1-(2-aminoethyl)-3-cyclobutyl-1-ethylurea
CID 116658119
3-cyclohexyl-1-[2-(dimethylamino)ethyl]-1-propylurea
CID 113231661
3-cyclobutyl-1-propyl-1-(2,2,2-trifluoroethyl)urea
CID 116655133
1-(2-aminoethyl)-3-cyclobutyl-1-methylurea
CID 82503265
1-(3-aminopropyl)-1-cyclobutyl-3-cyclohexylurea
CID 102874242
N-(3-aminopropyl)-N-propylcycloheptanecarboxamide
CID 55091581
1-[3-(aminomethyl)pentan-3-yl]-3-cyclobutyl-1-propylurea
CID 116658174
3-cyclopentyl-1-[3-(dimethylamino)propyl]-1-ethylurea
CID 102974783
1-(2-aminoethyl)-3-cyclobutyl-1-pentan-3-ylurea
CID 116658882
N-(3-aminopropyl)-2-cycloheptyl-N-propylacetamide
CID 114456956

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopropyl)-3-cyclobutyl-1-propylurea?
The IUPAC name of 1-(3-aminopropyl)-3-cyclobutyl-1-propylurea (CID 116658088) is 1-(3-aminopropyl)-3-cyclobutyl-1-propylurea.
What is the SMILES notation for 1-(3-aminopropyl)-3-cyclobutyl-1-propylurea?
The canonical SMILES for 1-(3-aminopropyl)-3-cyclobutyl-1-propylurea is CCCN(CCCN)C(=O)NC1CCC1.
What is the InChIKey of 1-(3-aminopropyl)-3-cyclobutyl-1-propylurea?
The InChIKey is KAMRXXYILMXTSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-2-8-14(9-4-7-12)11(15)13-10-5-3-6-10/h10H,2-9,12H2,1H3,(H,13,15).
What are the key properties of 1-(3-aminopropyl)-3-cyclobutyl-1-propylurea?
1-(3-aminopropyl)-3-cyclobutyl-1-propylurea has a molecular weight of 213.32 g/mol, XLogP of 1.31, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopropyl)-3-cyclobutyl-1-propylurea is sourced from PubChem (CID 116658088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).