1-(2-aminoethyl)-3-cyclobutyl-1-pentan-3-ylurea

C12H25N3O — CID 116658882

IUPAC1-(2-aminoethyl)-3-cyclobutyl-1-pentan-3-ylurea
SMILESCCC(CC)N(CCN)C(=O)NC1CCC1
InChIInChI=1S/C12H25N3O/c1-3-11(4-2)15(9-8-13)12(16)14-10-6-5-7-10/h10-11H,3-9,13H2,1-2H3,(H,14,16)
InChIKeyFUTLXWOFRWTGDR-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.70
Rot. Bonds6

About 1-(2-aminoethyl)-3-cyclobutyl-1-pentan-3-ylurea

1-(2-aminoethyl)-3-cyclobutyl-1-pentan-3-ylurea (PubChem CID 116658882) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 1-(2-aminoethyl)-3-cyclobutyl-1-pentan-3-ylurea.

Molecular Properties

Compound Name1-(2-aminoethyl)-3-cyclobutyl-1-pentan-3-ylurea
PubChem CID116658882
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name1-(2-aminoethyl)-3-cyclobutyl-1-pentan-3-ylurea
SMILESCCC(CC)N(CCN)C(=O)NC1CCC1
InChIInChI=1S/C12H25N3O/c1-3-11(4-2)15(9-8-13)12(16)14-10-6-5-7-10/h10-11H,3-9,13H2,1-2H3,(H,14,16)
InChIKeyFUTLXWOFRWTGDR-UHFFFAOYSA-N
XLogP1.70
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
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

1-(2-aminoethyl)-3-cyclobutyl-1-ethylurea
CID 116658119
1-(2-aminoethyl)-3-cyclobutyl-1-methylurea
CID 82503265
1-(2-aminoethyl)-1-pentan-3-yl-3-propan-2-ylurea
CID 63766748
1-(2-aminoethyl)-1-pentan-3-yl-3-propylurea
CID 63765781
N-(2-aminoethyl)-2-cyclopentyl-N-pentan-3-ylacetamide
CID 63755102
1-(1-aminopropan-2-yl)-3-cyclobutyl-1-methylurea
CID 82504241
1-(3-aminopropyl)-3-cyclobutyl-1-propylurea
CID 116658088
(2R)-N-cyclobutyl-2-methylbutanamide
CID 129182523
cis-(1R,3S)-3-[[2-hydroxyethyl(pentan-3-yl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 106319531
1-(2-aminoethyl)-3-cyclopropyl-1-propylurea
CID 62698156
1-(2-aminoethyl)-3-cyclopentyl-1-(2,2,2-trifluoroethyl)urea
CID 107493788
2-[butan-2-yl(cyclohexylcarbamoyl)amino]acetic acid
CID 60828429

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-3-cyclobutyl-1-pentan-3-ylurea?
The IUPAC name of 1-(2-aminoethyl)-3-cyclobutyl-1-pentan-3-ylurea (CID 116658882) is 1-(2-aminoethyl)-3-cyclobutyl-1-pentan-3-ylurea.
What is the SMILES notation for 1-(2-aminoethyl)-3-cyclobutyl-1-pentan-3-ylurea?
The canonical SMILES for 1-(2-aminoethyl)-3-cyclobutyl-1-pentan-3-ylurea is CCC(CC)N(CCN)C(=O)NC1CCC1.
What is the InChIKey of 1-(2-aminoethyl)-3-cyclobutyl-1-pentan-3-ylurea?
The InChIKey is FUTLXWOFRWTGDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-3-11(4-2)15(9-8-13)12(16)14-10-6-5-7-10/h10-11H,3-9,13H2,1-2H3,(H,14,16).
What are the key properties of 1-(2-aminoethyl)-3-cyclobutyl-1-pentan-3-ylurea?
1-(2-aminoethyl)-3-cyclobutyl-1-pentan-3-ylurea has a molecular weight of 227.35 g/mol, XLogP of 1.70, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-3-cyclobutyl-1-pentan-3-ylurea is sourced from PubChem (CID 116658882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).