1-(3-aminobutyl)-3-cyclohexylurea

C11H23N3O — CID 63253951

IUPAC1-(3-aminobutyl)-3-cyclohexylurea
SMILESCC(N)CCNC(=O)NC1CCCCC1
InChIInChI=1S/C11H23N3O/c1-9(12)7-8-13-11(15)14-10-5-3-2-4-6-10/h9-10H,2-8,12H2,1H3,(H2,13,14,15)
InChIKeySLZSHTVVUQDQMM-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.36
Rot. Bonds4

About 1-(3-aminobutyl)-3-cyclohexylurea

1-(3-aminobutyl)-3-cyclohexylurea (PubChem CID 63253951) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is 1-(3-aminobutyl)-3-cyclohexylurea.

Molecular Properties

Compound Name1-(3-aminobutyl)-3-cyclohexylurea
PubChem CID63253951
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name1-(3-aminobutyl)-3-cyclohexylurea
SMILESCC(N)CCNC(=O)NC1CCCCC1
InChIInChI=1S/C11H23N3O/c1-9(12)7-8-13-11(15)14-10-5-3-2-4-6-10/h9-10H,2-8,12H2,1H3,(H2,13,14,15)
InChIKeySLZSHTVVUQDQMM-UHFFFAOYSA-N
XLogP1.36
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopentyl-3-(3-hydroxybutyl)urea
CID 78964917
1-cyclohexyl-3-[2-(propan-2-ylamino)ethyl]urea
CID 62664578
1-(3-amino-3-phenylpropyl)-3-cyclohexylurea
CID 80506800
1-cyclohexyl-3-[2-[di(propan-2-yl)amino]ethyl]urea
CID 115569818
1-cyclopentyl-3-propylurea
CID 14343339
5-(cyclopentylcarbamoylamino)-2-methylpentanoic acid
CID 104682816
ethyl 3-(cyclohexylcarbamoylamino)propanoate
CID 61173677
1-cyclopentyl-3-[2-(2-hydroxypropylamino)ethyl]urea
CID 104593877
1-cyclohexyl-3-(5-hydroxy-3-phenylpentyl)urea
CID 121112417
1-cyclohexyl-3-[2-(ethylamino)ethyl]urea
CID 62663846
3-amino-N-[3-(cyclohexylamino)-3-oxopropyl]butanamide;hydrochloride
CID 119741948
1-cyclopentyl-3-[(2R)-2-hydroxypropyl]urea
CID 83040450

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminobutyl)-3-cyclohexylurea?
The IUPAC name of 1-(3-aminobutyl)-3-cyclohexylurea (CID 63253951) is 1-(3-aminobutyl)-3-cyclohexylurea.
What is the SMILES notation for 1-(3-aminobutyl)-3-cyclohexylurea?
The canonical SMILES for 1-(3-aminobutyl)-3-cyclohexylurea is CC(N)CCNC(=O)NC1CCCCC1.
What is the InChIKey of 1-(3-aminobutyl)-3-cyclohexylurea?
The InChIKey is SLZSHTVVUQDQMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-9(12)7-8-13-11(15)14-10-5-3-2-4-6-10/h9-10H,2-8,12H2,1H3,(H2,13,14,15).
What are the key properties of 1-(3-aminobutyl)-3-cyclohexylurea?
1-(3-aminobutyl)-3-cyclohexylurea has a molecular weight of 213.32 g/mol, XLogP of 1.36, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminobutyl)-3-cyclohexylurea is sourced from PubChem (CID 63253951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).