1-[2-(aminomethyl)-2-ethylbutyl]-3-benzylurea

C15H25N3O — CID 106251034

IUPAC1-[2-(aminomethyl)-2-ethylbutyl]-3-benzylurea
SMILESCCC(CC)(CN)CNC(=O)NCc1ccccc1
InChIInChI=1S/C15H25N3O/c1-3-15(4-2,11-16)12-18-14(19)17-10-13-8-6-5-7-9-13/h5-9H,3-4,10-12,16H2,1-2H3,(H2,17,18,19)
InChIKeyPSCGSBOEDFQHHV-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.25
Rot. Bonds7

About 1-[2-(aminomethyl)-2-ethylbutyl]-3-benzylurea

1-[2-(aminomethyl)-2-ethylbutyl]-3-benzylurea (PubChem CID 106251034) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-[2-(aminomethyl)-2-ethylbutyl]-3-benzylurea.

Molecular Properties

Compound Name1-[2-(aminomethyl)-2-ethylbutyl]-3-benzylurea
PubChem CID106251034
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name1-[2-(aminomethyl)-2-ethylbutyl]-3-benzylurea
SMILESCCC(CC)(CN)CNC(=O)NCc1ccccc1
InChIInChI=1S/C15H25N3O/c1-3-15(4-2,11-16)12-18-14(19)17-10-13-8-6-5-7-9-13/h5-9H,3-4,10-12,16H2,1-2H3,(H2,17,18,19)
InChIKeyPSCGSBOEDFQHHV-UHFFFAOYSA-N
XLogP2.25
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(aminomethyl)-2-ethylbutyl]-2-methyl-2-phenylpropanamide
CID 106250793
1-benzyl-3-(2-methyl-2-phenylpropyl)urea
CID 38887064
1-(3-amino-3-imino-2,2-dimethylpropyl)-3-benzylurea
CID 107654653
N-benzylacetamide;ethanamine
CID 22257034
4-[(benzylcarbamoylamino)methyl]benzoic acid
CID 61180965
1-[(4-chlorophenyl)methyl]-3-(2,2-diethyl-4-hydroxybutyl)urea
CID 111499071
1-benzyl-3-(2,3,3-trimethylbutan-2-yl)urea
CID 131211782
N-[2-(aminomethyl)-2-ethylbutyl]-2,6-dihydroxybenzamide
CID 106250427
2-(benzylcarbamoylamino)-N-(2-methylbutan-2-yl)acetamide
CID 46554777
1-(4-amino-2-ethylbutyl)-3-benzylurea
CID 107654554
1-benzyl-3-methylurea;ethane
CID 90763782
N-benzyl-2-[[2-ethyl-2-(hydroxymethyl)butyl]amino]acetamide
CID 81419811

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)-2-ethylbutyl]-3-benzylurea?
The IUPAC name of 1-[2-(aminomethyl)-2-ethylbutyl]-3-benzylurea (CID 106251034) is 1-[2-(aminomethyl)-2-ethylbutyl]-3-benzylurea.
What is the SMILES notation for 1-[2-(aminomethyl)-2-ethylbutyl]-3-benzylurea?
The canonical SMILES for 1-[2-(aminomethyl)-2-ethylbutyl]-3-benzylurea is CCC(CC)(CN)CNC(=O)NCc1ccccc1.
What is the InChIKey of 1-[2-(aminomethyl)-2-ethylbutyl]-3-benzylurea?
The InChIKey is PSCGSBOEDFQHHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-3-15(4-2,11-16)12-18-14(19)17-10-13-8-6-5-7-9-13/h5-9H,3-4,10-12,16H2,1-2H3,(H2,17,18,19).
What are the key properties of 1-[2-(aminomethyl)-2-ethylbutyl]-3-benzylurea?
1-[2-(aminomethyl)-2-ethylbutyl]-3-benzylurea has a molecular weight of 263.38 g/mol, XLogP of 2.25, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)-2-ethylbutyl]-3-benzylurea is sourced from PubChem (CID 106251034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).