2-(cyclopropylamino)-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]acetamide

C14H25N3O — CID 54898471

IUPAC2-(cyclopropylamino)-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]acetamide
SMILESCN1C2CCC1CC(CNC(=O)CNC1CC1)C2
InChIInChI=1S/C14H25N3O/c1-17-12-4-5-13(17)7-10(6-12)8-16-14(18)9-15-11-2-3-11/h10-13,15H,2-9H2,1H3,(H,16,18)
InChIKeyIJHPPMUQDXLLBR-UHFFFAOYSA-N
MW251.37 g/mol
LogP0.73
Rot. Bonds5

About 2-(cyclopropylamino)-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]acetamide

2-(cyclopropylamino)-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]acetamide (PubChem CID 54898471) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-(cyclopropylamino)-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(cyclopropylamino)-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]acetamide
PubChem CID54898471
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name2-(cyclopropylamino)-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]acetamide
SMILESCN1C2CCC1CC(CNC(=O)CNC1CC1)C2
InChIInChI=1S/C14H25N3O/c1-17-12-4-5-13(17)7-10(6-12)8-16-14(18)9-15-11-2-3-11/h10-13,15H,2-9H2,1H3,(H,16,18)
InChIKeyIJHPPMUQDXLLBR-UHFFFAOYSA-N
XLogP0.73
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methyl]acetamide
CID 51891967
N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112605227
2-(cyclopropylamino)-N-[(1,4-dimethylpiperazin-2-yl)methyl]acetamide
CID 63896375
N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 62704083
(2S)-2-amino-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]propanamide
CID 61149354
2-(cyclopropylamino)-N-[(1,1-dioxothiolan-3-yl)methyl]acetamide
CID 61057544
2-(cyclohexylamino)-N-(cyclopropylmethyl)acetamide
CID 28565073
4-[[2-(cyclopropylmethylamino)-2-oxoethyl]amino]cyclohexane-1-carboxylic acid
CID 60808097
1-cyclopropyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]methanamine
CID 61013267
2-(cyclopropylamino)-N-(3,3-difluoro-2-hydroxypropyl)acetamide
CID 103843951
N-(2-methoxyethyl)-2-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]acetamide
CID 65471257
2-(cyclopentylamino)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]acetamide
CID 61209304

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]acetamide?
The IUPAC name of 2-(cyclopropylamino)-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]acetamide (CID 54898471) is 2-(cyclopropylamino)-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]acetamide.
What is the SMILES notation for 2-(cyclopropylamino)-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]acetamide?
The canonical SMILES for 2-(cyclopropylamino)-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]acetamide is CN1C2CCC1CC(CNC(=O)CNC1CC1)C2.
What is the InChIKey of 2-(cyclopropylamino)-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]acetamide?
The InChIKey is IJHPPMUQDXLLBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-17-12-4-5-13(17)7-10(6-12)8-16-14(18)9-15-11-2-3-11/h10-13,15H,2-9H2,1H3,(H,16,18).
What are the key properties of 2-(cyclopropylamino)-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]acetamide?
2-(cyclopropylamino)-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]acetamide has a molecular weight of 251.37 g/mol, XLogP of 0.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]acetamide is sourced from PubChem (CID 54898471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).