N-(3-aminopropyl)-N-benzyl-2,2-dimethylcyclopropane-1-carboxamide

C16H24N2O — CID 107366064

IUPACN-(3-aminopropyl)-N-benzyl-2,2-dimethylcyclopropane-1-carboxamide
SMILESCC1(C)CC1C(=O)N(CCCN)Cc1ccccc1
InChIInChI=1S/C16H24N2O/c1-16(2)11-14(16)15(19)18(10-6-9-17)12-13-7-4-3-5-8-13/h3-5,7-8,14H,6,9-12,17H2,1-2H3
InChIKeyIGVRJRIOQFRZKW-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.41
Rot. Bonds6

About N-(3-aminopropyl)-N-benzyl-2,2-dimethylcyclopropane-1-carboxamide

N-(3-aminopropyl)-N-benzyl-2,2-dimethylcyclopropane-1-carboxamide (PubChem CID 107366064) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-benzyl-2,2-dimethylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-benzyl-2,2-dimethylcyclopropane-1-carboxamide
PubChem CID107366064
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC NameN-(3-aminopropyl)-N-benzyl-2,2-dimethylcyclopropane-1-carboxamide
SMILESCC1(C)CC1C(=O)N(CCCN)Cc1ccccc1
InChIInChI=1S/C16H24N2O/c1-16(2)11-14(16)15(19)18(10-6-9-17)12-13-7-4-3-5-8-13/h3-5,7-8,14H,6,9-12,17H2,1-2H3
InChIKeyIGVRJRIOQFRZKW-UHFFFAOYSA-N
XLogP2.41
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-aminopropyl)-2,2-dimethyl-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide
CID 107000128
N-(2-aminoethyl)-N-benzyl-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 66477971
1-(3-aminopropyl)-1-benzyl-3,3-dimethylurea
CID 107366332
N-(3-aminopropyl)-N-benzyloxane-4-carboxamide
CID 107366082
N-(3-aminopropyl)-N-benzylcyclohex-3-ene-1-carboxamide
CID 107365878
1-acetyl-N-(3-aminopropyl)-N-benzylpyrrolidine-2-carboxamide
CID 120649215
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-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide;hydrochloride
CID 120649054
N-(3-aminopropyl)-N-benzyl-2-methylsulfonylacetamide
CID 107366137
N-(3-aminopropyl)-N-benzyl-2-tert-butylsulfanylacetamide
CID 107365756

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-benzyl-2,2-dimethylcyclopropane-1-carboxamide?
The IUPAC name of N-(3-aminopropyl)-N-benzyl-2,2-dimethylcyclopropane-1-carboxamide (CID 107366064) is N-(3-aminopropyl)-N-benzyl-2,2-dimethylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(3-aminopropyl)-N-benzyl-2,2-dimethylcyclopropane-1-carboxamide?
The canonical SMILES for N-(3-aminopropyl)-N-benzyl-2,2-dimethylcyclopropane-1-carboxamide is CC1(C)CC1C(=O)N(CCCN)Cc1ccccc1.
What is the InChIKey of N-(3-aminopropyl)-N-benzyl-2,2-dimethylcyclopropane-1-carboxamide?
The InChIKey is IGVRJRIOQFRZKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-16(2)11-14(16)15(19)18(10-6-9-17)12-13-7-4-3-5-8-13/h3-5,7-8,14H,6,9-12,17H2,1-2H3.
What are the key properties of N-(3-aminopropyl)-N-benzyl-2,2-dimethylcyclopropane-1-carboxamide?
N-(3-aminopropyl)-N-benzyl-2,2-dimethylcyclopropane-1-carboxamide has a molecular weight of 260.38 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-benzyl-2,2-dimethylcyclopropane-1-carboxamide is sourced from PubChem (CID 107366064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).