1-(3-aminopropyl)-1-benzyl-3,3-dimethylurea

C13H21N3O — CID 107366332

IUPAC1-(3-aminopropyl)-1-benzyl-3,3-dimethylurea
SMILESCN(C)C(=O)N(CCCN)Cc1ccccc1
InChIInChI=1S/C13H21N3O/c1-15(2)13(17)16(10-6-9-14)11-12-7-4-3-5-8-12/h3-5,7-8H,6,9-11,14H2,1-2H3
InChIKeyIDZZQFVRKKYQDA-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.52
Rot. Bonds5

About 1-(3-aminopropyl)-1-benzyl-3,3-dimethylurea

1-(3-aminopropyl)-1-benzyl-3,3-dimethylurea (PubChem CID 107366332) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-(3-aminopropyl)-1-benzyl-3,3-dimethylurea.

Molecular Properties

Compound Name1-(3-aminopropyl)-1-benzyl-3,3-dimethylurea
PubChem CID107366332
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name1-(3-aminopropyl)-1-benzyl-3,3-dimethylurea
SMILESCN(C)C(=O)N(CCCN)Cc1ccccc1
InChIInChI=1S/C13H21N3O/c1-15(2)13(17)16(10-6-9-14)11-12-7-4-3-5-8-12/h3-5,7-8H,6,9-11,14H2,1-2H3
InChIKeyIDZZQFVRKKYQDA-UHFFFAOYSA-N
XLogP1.52
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-aminoethyl)-1-benzyl-3,3-dimethylurea
CID 79153729
N-(3-aminopropyl)-N-benzyl-2-methylsulfanylacetamide
CID 107366128
N-(3-aminopropyl)-N-benzyl-2,3-dimethylbutanamide
CID 107365679
N-(3-aminopropyl)-N-benzyl-4-methylbenzamide
CID 107365954
N-(3-aminopropyl)-N-benzyl-2-tert-butylsulfanylacetamide
CID 107365756
N-(3-aminopropyl)-N-benzyl-2-methylsulfonylacetamide
CID 107366137
N-(3-aminopropyl)-N-benzylhexanamide
CID 107366146
N-(3-aminopropyl)-N-benzyl-2,2-dimethylcyclopropane-1-carboxamide
CID 107366064
N-(3-aminopropyl)-3-[benzyl(methyl)amino]-N-methylpropanamide
CID 43253618
2-[2-[3-aminopropyl(benzyl)amino]-2-oxoethyl]sulfanylacetamide
CID 120649057
N-(3-aminopropyl)-N-benzyl-2-(carbamoylamino)propanamide
CID 120649030
N-(3-aminopropyl)-N-benzyl-2-methylsulfonylpropanamide;hydrochloride
CID 120648412

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopropyl)-1-benzyl-3,3-dimethylurea?
The IUPAC name of 1-(3-aminopropyl)-1-benzyl-3,3-dimethylurea (CID 107366332) is 1-(3-aminopropyl)-1-benzyl-3,3-dimethylurea.
What is the SMILES notation for 1-(3-aminopropyl)-1-benzyl-3,3-dimethylurea?
The canonical SMILES for 1-(3-aminopropyl)-1-benzyl-3,3-dimethylurea is CN(C)C(=O)N(CCCN)Cc1ccccc1.
What is the InChIKey of 1-(3-aminopropyl)-1-benzyl-3,3-dimethylurea?
The InChIKey is IDZZQFVRKKYQDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-15(2)13(17)16(10-6-9-14)11-12-7-4-3-5-8-12/h3-5,7-8H,6,9-11,14H2,1-2H3.
What are the key properties of 1-(3-aminopropyl)-1-benzyl-3,3-dimethylurea?
1-(3-aminopropyl)-1-benzyl-3,3-dimethylurea has a molecular weight of 235.33 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopropyl)-1-benzyl-3,3-dimethylurea is sourced from PubChem (CID 107366332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).