1-(2-aminoethyl)-1-benzyl-3,3-dimethylurea

C12H19N3O — CID 79153729

IUPAC1-(2-aminoethyl)-1-benzyl-3,3-dimethylurea
SMILESCN(C)C(=O)N(CCN)Cc1ccccc1
InChIInChI=1S/C12H19N3O/c1-14(2)12(16)15(9-8-13)10-11-6-4-3-5-7-11/h3-7H,8-10,13H2,1-2H3
InChIKeyCHGNIPNTIJBNEK-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.13
Rot. Bonds4

About 1-(2-aminoethyl)-1-benzyl-3,3-dimethylurea

1-(2-aminoethyl)-1-benzyl-3,3-dimethylurea (PubChem CID 79153729) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-(2-aminoethyl)-1-benzyl-3,3-dimethylurea.

Molecular Properties

Compound Name1-(2-aminoethyl)-1-benzyl-3,3-dimethylurea
PubChem CID79153729
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name1-(2-aminoethyl)-1-benzyl-3,3-dimethylurea
SMILESCN(C)C(=O)N(CCN)Cc1ccccc1
InChIInChI=1S/C12H19N3O/c1-14(2)12(16)15(9-8-13)10-11-6-4-3-5-7-11/h3-7H,8-10,13H2,1-2H3
InChIKeyCHGNIPNTIJBNEK-UHFFFAOYSA-N
XLogP1.13
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-aminopropyl)-1-benzyl-3,3-dimethylurea
CID 107366332
N-(2-aminoethyl)-N-benzyl-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 66477971
N'-benzyl-N'-methylethane-1,2-diamine
CID 3014812
1-(2-aminoethyl)-1-benzyl-3-tert-butylurea
CID 61014681
N-(2-aminoethyl)-N-benzyl-2-(2-methoxyethoxy)acetamide
CID 104859530
N-(2-aminoethyl)-N-benzyl-4-methylpentanamide
CID 61014679
1-benzyl-1-[(2S)-2-hydroxy-2-methylbutyl]-3,3-dimethylurea
CID 99830823
N'-acetyl-N'-(2-aminoethyl)-N-benzyl-N-methyloxamide
CID 108518840
N-(2-aminoethyl)-N-benzyl-3-ethylthiophene-2-carboxamide
CID 104859488
3-[acetyl(benzyl)amino]-N-(2-aminoethyl)-N-(2-phenylethyl)propanamide
CID 120884500
N-(2-aminoethyl)-N-benzylcycloheptanecarboxamide
CID 62585571
2-amino-N,N-dibenzylacetamide
CID 11107897

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-1-benzyl-3,3-dimethylurea?
The IUPAC name of 1-(2-aminoethyl)-1-benzyl-3,3-dimethylurea (CID 79153729) is 1-(2-aminoethyl)-1-benzyl-3,3-dimethylurea.
What is the SMILES notation for 1-(2-aminoethyl)-1-benzyl-3,3-dimethylurea?
The canonical SMILES for 1-(2-aminoethyl)-1-benzyl-3,3-dimethylurea is CN(C)C(=O)N(CCN)Cc1ccccc1.
What is the InChIKey of 1-(2-aminoethyl)-1-benzyl-3,3-dimethylurea?
The InChIKey is CHGNIPNTIJBNEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-14(2)12(16)15(9-8-13)10-11-6-4-3-5-7-11/h3-7H,8-10,13H2,1-2H3.
What are the key properties of 1-(2-aminoethyl)-1-benzyl-3,3-dimethylurea?
1-(2-aminoethyl)-1-benzyl-3,3-dimethylurea has a molecular weight of 221.30 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-1-benzyl-3,3-dimethylurea is sourced from PubChem (CID 79153729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).