N-(2-amino-2-methylpropyl)-1-benzylcyclopropane-1-carboxamide

C15H22N2O — CID 119629469

IUPACN-(2-amino-2-methylpropyl)-1-benzylcyclopropane-1-carboxamide
SMILESCC(C)(N)CNC(=O)C1(Cc2ccccc2)CC1
InChIInChI=1S/C15H22N2O/c1-14(2,16)11-17-13(18)15(8-9-15)10-12-6-4-3-5-7-12/h3-7H,8-11,16H2,1-2H3,(H,17,18)
InChIKeyDMLLWTOYHBSVAN-UHFFFAOYSA-N
MW246.35 g/mol
LogP1.86
Rot. Bonds5

About N-(2-amino-2-methylpropyl)-1-benzylcyclopropane-1-carboxamide

N-(2-amino-2-methylpropyl)-1-benzylcyclopropane-1-carboxamide (PubChem CID 119629469) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-1-benzylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-methylpropyl)-1-benzylcyclopropane-1-carboxamide
PubChem CID119629469
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC NameN-(2-amino-2-methylpropyl)-1-benzylcyclopropane-1-carboxamide
SMILESCC(C)(N)CNC(=O)C1(Cc2ccccc2)CC1
InChIInChI=1S/C15H22N2O/c1-14(2,16)11-17-13(18)15(8-9-15)10-12-6-4-3-5-7-12/h3-7H,8-11,16H2,1-2H3,(H,17,18)
InChIKeyDMLLWTOYHBSVAN-UHFFFAOYSA-N
XLogP1.86
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-amino-2-phenylethyl)-1-benzylcyclopropane-1-carboxamide
CID 119529111
1-benzylcyclopropane-1-carboxylic acid
CID 562561
cis-(1R,3R)-1-amino-3-benzylcyclopentane-1,3-dicarboxylic acid
CID 102192714
4-(aminomethyl)-N-(2,2-dimethyl-3-phenylpropyl)oxane-4-carboxamide
CID 120933958
1-amino-N-(2,2-dimethyl-3-phenylpropyl)cyclopentane-1-carboxamide
CID 119329656
N-(2-amino-2-methylpropyl)-1-phenylsulfanylcyclopentane-1-carboxamide;hydrochloride
CID 119628222
ethyl 1-benzylcyclopropane-1-carboxylate
CID 12619318
N-(4-aminocyclohexyl)-1-benzylcyclopropane-1-carboxamide
CID 119477938
1-benzyl-N-[[2-(methanesulfonamido)cyclohexyl]methyl]cyclopropane-1-carboxamide
CID 126801738
2-[4-[(1-benzylcyclopropanecarbonyl)amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120696283
(2S)-2-[[2-[(1-benzylcyclobutanecarbonyl)amino]acetyl]amino]-4-methylpentanoic acid
CID 120695756
benzyl 4-benzyl-4-(benzylcarbamoyl)piperidine-1-carboxylate
CID 23600667

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)-1-benzylcyclopropane-1-carboxamide?
The IUPAC name of N-(2-amino-2-methylpropyl)-1-benzylcyclopropane-1-carboxamide (CID 119629469) is N-(2-amino-2-methylpropyl)-1-benzylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(2-amino-2-methylpropyl)-1-benzylcyclopropane-1-carboxamide?
The canonical SMILES for N-(2-amino-2-methylpropyl)-1-benzylcyclopropane-1-carboxamide is CC(C)(N)CNC(=O)C1(Cc2ccccc2)CC1.
What is the InChIKey of N-(2-amino-2-methylpropyl)-1-benzylcyclopropane-1-carboxamide?
The InChIKey is DMLLWTOYHBSVAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-14(2,16)11-17-13(18)15(8-9-15)10-12-6-4-3-5-7-12/h3-7H,8-11,16H2,1-2H3,(H,17,18).
What are the key properties of N-(2-amino-2-methylpropyl)-1-benzylcyclopropane-1-carboxamide?
N-(2-amino-2-methylpropyl)-1-benzylcyclopropane-1-carboxamide has a molecular weight of 246.35 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-methylpropyl)-1-benzylcyclopropane-1-carboxamide is sourced from PubChem (CID 119629469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).