2-(aminomethyl)-2-methyl-N-(2-phenylcyclopropyl)butanamide

C15H22N2O — CID 114290562

IUPAC2-(aminomethyl)-2-methyl-N-(2-phenylcyclopropyl)butanamide
SMILESCCC(C)(CN)C(=O)NC1CC1c1ccccc1
InChIInChI=1S/C15H22N2O/c1-3-15(2,10-16)14(18)17-13-9-12(13)11-7-5-4-6-8-11/h4-8,12-13H,3,9-10,16H2,1-2H3,(H,17,18)
InChIKeyMRPHOEBYCLOQOC-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.03
Rot. Bonds5

About 2-(aminomethyl)-2-methyl-N-(2-phenylcyclopropyl)butanamide

2-(aminomethyl)-2-methyl-N-(2-phenylcyclopropyl)butanamide (PubChem CID 114290562) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 2-(aminomethyl)-2-methyl-N-(2-phenylcyclopropyl)butanamide.

Molecular Properties

Compound Name2-(aminomethyl)-2-methyl-N-(2-phenylcyclopropyl)butanamide
PubChem CID114290562
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name2-(aminomethyl)-2-methyl-N-(2-phenylcyclopropyl)butanamide
SMILESCCC(C)(CN)C(=O)NC1CC1c1ccccc1
InChIInChI=1S/C15H22N2O/c1-3-15(2,10-16)14(18)17-13-9-12(13)11-7-5-4-6-8-11/h4-8,12-13H,3,9-10,16H2,1-2H3,(H,17,18)
InChIKeyMRPHOEBYCLOQOC-UHFFFAOYSA-N
XLogP2.03
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 ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-2-methyl-N-(2-phenylcyclopropyl)propanamide;hydrochloride
CID 119281635
2,2,2-trifluoro-N-[(1R,2S)-2-phenylcyclopropyl]acetamide
CID 92859467
N-[(1R,2R)-2-phenylcyclopropyl]acetamide
CID 6954168
tert-butyl N-[(1S)-2-phenylcyclopropyl]carbamate
CID 58486461
2,2-dimethyl-3-[[(1S,2R)-2-phenylcyclopropyl]carbamoylamino]propanamide
CID 95583258
tert-butyl N-[(1S,2R)-2-phenylcyclopropyl]carbamate;carbonic acid
CID 70980362
(2S)-2-amino-N-(2-phenylcyclopropyl)propanamide
CID 78977151
1-(2-hydroxy-3,3-dimethylbutyl)-3-(2-phenylcyclopropyl)urea
CID 111338273
2-(aminomethyl)-N-[(2-ethylphenyl)methyl]-2-methylbutanamide
CID 114290774
2-amino-3-methyl-N-(2-phenylcyclopropyl)pentanamide;hydrochloride
CID 119709457
2-amino-N-[(1S,2R)-2-phenylcyclopropyl]hexanamide
CID 131862373
N-[(1S,2R)-2-phenylcyclopropyl]benzamide
CID 7350127

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-2-methyl-N-(2-phenylcyclopropyl)butanamide?
The IUPAC name of 2-(aminomethyl)-2-methyl-N-(2-phenylcyclopropyl)butanamide (CID 114290562) is 2-(aminomethyl)-2-methyl-N-(2-phenylcyclopropyl)butanamide.
What is the SMILES notation for 2-(aminomethyl)-2-methyl-N-(2-phenylcyclopropyl)butanamide?
The canonical SMILES for 2-(aminomethyl)-2-methyl-N-(2-phenylcyclopropyl)butanamide is CCC(C)(CN)C(=O)NC1CC1c1ccccc1.
What is the InChIKey of 2-(aminomethyl)-2-methyl-N-(2-phenylcyclopropyl)butanamide?
The InChIKey is MRPHOEBYCLOQOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-3-15(2,10-16)14(18)17-13-9-12(13)11-7-5-4-6-8-11/h4-8,12-13H,3,9-10,16H2,1-2H3,(H,17,18).
What are the key properties of 2-(aminomethyl)-2-methyl-N-(2-phenylcyclopropyl)butanamide?
2-(aminomethyl)-2-methyl-N-(2-phenylcyclopropyl)butanamide has a molecular weight of 246.35 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-2-methyl-N-(2-phenylcyclopropyl)butanamide is sourced from PubChem (CID 114290562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).