1-(3-aminobutyl)-3-cyclobutyl-1-methylurea

C10H21N3O — CID 116658911

IUPAC1-(3-aminobutyl)-3-cyclobutyl-1-methylurea
SMILESCC(N)CCN(C)C(=O)NC1CCC1
InChIInChI=1S/C10H21N3O/c1-8(11)6-7-13(2)10(14)12-9-4-3-5-9/h8-9H,3-7,11H2,1-2H3,(H,12,14)
InChIKeyWHXOQOVKQKJVPH-UHFFFAOYSA-N
MW199.30 g/mol
LogP0.92
Rot. Bonds4

About 1-(3-aminobutyl)-3-cyclobutyl-1-methylurea

1-(3-aminobutyl)-3-cyclobutyl-1-methylurea (PubChem CID 116658911) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is 1-(3-aminobutyl)-3-cyclobutyl-1-methylurea.

Molecular Properties

Compound Name1-(3-aminobutyl)-3-cyclobutyl-1-methylurea
PubChem CID116658911
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name1-(3-aminobutyl)-3-cyclobutyl-1-methylurea
SMILESCC(N)CCN(C)C(=O)NC1CCC1
InChIInChI=1S/C10H21N3O/c1-8(11)6-7-13(2)10(14)12-9-4-3-5-9/h8-9H,3-7,11H2,1-2H3,(H,12,14)
InChIKeyWHXOQOVKQKJVPH-UHFFFAOYSA-N
XLogP0.92
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclobutyl-1-methyl-1-(3-methylbutyl)urea
CID 115617736
3-cyclobutyl-1-(3-hydroxybutyl)-1-methylurea
CID 115735319
1-(2-aminoethyl)-3-cyclobutyl-1-methylurea
CID 82503265
3-cyclobutyl-1-[2-(dimethylamino)ethyl]-1-methylurea
CID 115672508
1-(3-amino-3-sulfanylidenepropyl)-3-cyclobutyl-1-methylurea
CID 116658284
3-cyclobutyl-1-methyl-1-(2-methylbutyl)urea
CID 115621990
1-(1-aminopropan-2-yl)-3-cyclobutyl-1-methylurea
CID 82504241
3-cyclobutyl-1-cyclopentyl-1-(3-methylbutyl)urea
CID 115642218
(3S)-3-amino-N-cyclobutylbutanamide
CID 94423965
3-cyclohexyl-1-methyl-1-(2-methylbutyl)urea
CID 115585875
3-cyclopentyl-1-(cyclopentylmethyl)-1-methylurea
CID 115597933
3-cyclobutyl-1-hydroxy-1-methylurea
CID 130900785

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminobutyl)-3-cyclobutyl-1-methylurea?
The IUPAC name of 1-(3-aminobutyl)-3-cyclobutyl-1-methylurea (CID 116658911) is 1-(3-aminobutyl)-3-cyclobutyl-1-methylurea.
What is the SMILES notation for 1-(3-aminobutyl)-3-cyclobutyl-1-methylurea?
The canonical SMILES for 1-(3-aminobutyl)-3-cyclobutyl-1-methylurea is CC(N)CCN(C)C(=O)NC1CCC1.
What is the InChIKey of 1-(3-aminobutyl)-3-cyclobutyl-1-methylurea?
The InChIKey is WHXOQOVKQKJVPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-8(11)6-7-13(2)10(14)12-9-4-3-5-9/h8-9H,3-7,11H2,1-2H3,(H,12,14).
What are the key properties of 1-(3-aminobutyl)-3-cyclobutyl-1-methylurea?
1-(3-aminobutyl)-3-cyclobutyl-1-methylurea has a molecular weight of 199.30 g/mol, XLogP of 0.92, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminobutyl)-3-cyclobutyl-1-methylurea is sourced from PubChem (CID 116658911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).