2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-methylpropanamide

C11H21N3O — CID 115314435

IUPAC2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-methylpropanamide
SMILESCNC(=O)C(C)N1CCC2CCC(C1)N2
InChIInChI=1S/C11H21N3O/c1-8(11(15)12-2)14-6-5-9-3-4-10(7-14)13-9/h8-10,13H,3-7H2,1-2H3,(H,12,15)
InChIKeyFJHIHFRZSZHWBE-UHFFFAOYSA-N
MW211.31 g/mol
LogP-0.05
Rot. Bonds2

About 2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-methylpropanamide

2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-methylpropanamide (PubChem CID 115314435) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-methylpropanamide.

Molecular Properties

Compound Name2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-methylpropanamide
PubChem CID115314435
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-methylpropanamide
SMILESCNC(=O)C(C)N1CCC2CCC(C1)N2
InChIInChI=1S/C11H21N3O/c1-8(11(15)12-2)14-6-5-9-3-4-10(7-14)13-9/h8-10,13H,3-7H2,1-2H3,(H,12,15)
InChIKeyFJHIHFRZSZHWBE-UHFFFAOYSA-N
XLogP-0.05
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-butan-2-yl-2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)propanamide;hydrochloride
CID 119927531
methyl 2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)propanoate
CID 115314462
2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-methylpropanamide
CID 66291565
2-(3-ethylpyrrolidin-1-yl)-N-methylpropanamide
CID 126990123
(2R)-2-[4,7-bis[(2R)-1-(methylamino)-1-oxopropan-2-yl]-1,4,7-triazonan-1-yl]-N-methylpropanamide
CID 177439425
2-[3-(aminomethyl)-4-methylpiperidin-1-yl]-N-methylpropanamide
CID 114961414
3-pentan-2-yl-3,9-diazabicyclo[4.2.1]nonane
CID 115313863
methyl (3S)-1-[1-(methylamino)-1-oxopropan-2-yl]piperidine-3-carboxylate
CID 79037827
2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-(methylcarbamoyl)propanamide
CID 112630269
ethyl 2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)pentanoate
CID 83048861
2-[3-(hydroxymethyl)pyrrolidin-1-yl]-N-propan-2-ylpropanamide
CID 62370861
2-methyl-2-[1-[1-(methylamino)-1-oxopropan-2-yl]piperidin-3-yl]propanoic acid
CID 83198222

Frequently Asked Questions

What is the IUPAC name of 2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-methylpropanamide?
The IUPAC name of 2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-methylpropanamide (CID 115314435) is 2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-methylpropanamide.
What is the SMILES notation for 2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-methylpropanamide?
The canonical SMILES for 2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-methylpropanamide is CNC(=O)C(C)N1CCC2CCC(C1)N2.
What is the InChIKey of 2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-methylpropanamide?
The InChIKey is FJHIHFRZSZHWBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-8(11(15)12-2)14-6-5-9-3-4-10(7-14)13-9/h8-10,13H,3-7H2,1-2H3,(H,12,15).
What are the key properties of 2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-methylpropanamide?
2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-methylpropanamide has a molecular weight of 211.31 g/mol, XLogP of -0.05, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-methylpropanamide is sourced from PubChem (CID 115314435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).