2-(5-amino-2-azabicyclo[2.1.1]hexan-2-yl)-N-methylpropanamide

C9H17N3O — CID 130874740

IUPAC2-(5-amino-2-azabicyclo[2.1.1]hexan-2-yl)-N-methylpropanamide
SMILESCNC(=O)C(C)N1CC2CC1C2N
InChIInChI=1S/C9H17N3O/c1-5(9(13)11-2)12-4-6-3-7(12)8(6)10/h5-8H,3-4,10H2,1-2H3,(H,11,13)
InChIKeyFCTPJBKCVCXGAT-UHFFFAOYSA-N
MW183.25 g/mol
LogP-0.85
Rot. Bonds2

About 2-(5-amino-2-azabicyclo[2.1.1]hexan-2-yl)-N-methylpropanamide

2-(5-amino-2-azabicyclo[2.1.1]hexan-2-yl)-N-methylpropanamide (PubChem CID 130874740) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is 2-(5-amino-2-azabicyclo[2.1.1]hexan-2-yl)-N-methylpropanamide.

Molecular Properties

Compound Name2-(5-amino-2-azabicyclo[2.1.1]hexan-2-yl)-N-methylpropanamide
PubChem CID130874740
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name2-(5-amino-2-azabicyclo[2.1.1]hexan-2-yl)-N-methylpropanamide
SMILESCNC(=O)C(C)N1CC2CC1C2N
InChIInChI=1S/C9H17N3O/c1-5(9(13)11-2)12-4-6-3-7(12)8(6)10/h5-8H,3-4,10H2,1-2H3,(H,11,13)
InChIKeyFCTPJBKCVCXGAT-UHFFFAOYSA-N
XLogP-0.85
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 5-0.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-dimethylpentan-3-yl)-2-azabicyclo[2.1.1]hexan-5-amine
CID 130820042
2-[1-(methylamino)-1-oxopropan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
CID 102895396
2-(3-amino-5-methylpiperidin-1-yl)-N-methylpropanamide
CID 79993684
1-(5-amino-2-azabicyclo[2.1.1]hexan-2-yl)-2-methoxypropan-1-one
CID 131015209
N-methyl-2-[(2R)-2-methylpiperazin-1-yl]propanamide
CID 82761351
2-methyl-1-[1-(methylamino)-1-oxopropan-2-yl]piperidine-4-carboxylic acid
CID 106744633
(2R)-2-[4,7-bis[(2R)-1-(methylamino)-1-oxopropan-2-yl]-1,4,7-triazonan-1-yl]-N-methylpropanamide
CID 177439425
2-[2-(aminomethyl)-5-methylmorpholin-4-yl]-N-methylpropanamide
CID 81216899
N-methyl-2-(2-methyl-1,4-diazepan-1-yl)propanamide
CID 127006822
2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-methylpropanamide
CID 62015297
2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-methylpropanamide
CID 66291565
N-methyl-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propanamide
CID 62275284

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-2-azabicyclo[2.1.1]hexan-2-yl)-N-methylpropanamide?
The IUPAC name of 2-(5-amino-2-azabicyclo[2.1.1]hexan-2-yl)-N-methylpropanamide (CID 130874740) is 2-(5-amino-2-azabicyclo[2.1.1]hexan-2-yl)-N-methylpropanamide.
What is the SMILES notation for 2-(5-amino-2-azabicyclo[2.1.1]hexan-2-yl)-N-methylpropanamide?
The canonical SMILES for 2-(5-amino-2-azabicyclo[2.1.1]hexan-2-yl)-N-methylpropanamide is CNC(=O)C(C)N1CC2CC1C2N.
What is the InChIKey of 2-(5-amino-2-azabicyclo[2.1.1]hexan-2-yl)-N-methylpropanamide?
The InChIKey is FCTPJBKCVCXGAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-5(9(13)11-2)12-4-6-3-7(12)8(6)10/h5-8H,3-4,10H2,1-2H3,(H,11,13).
What are the key properties of 2-(5-amino-2-azabicyclo[2.1.1]hexan-2-yl)-N-methylpropanamide?
2-(5-amino-2-azabicyclo[2.1.1]hexan-2-yl)-N-methylpropanamide has a molecular weight of 183.25 g/mol, XLogP of -0.85, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-2-azabicyclo[2.1.1]hexan-2-yl)-N-methylpropanamide is sourced from PubChem (CID 130874740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).