N,N-dimethyl-2-[3-(methylamino)-9-azabicyclo[3.3.1]nonan-9-yl]acetamide

C13H25N3O — CID 62713631

IUPACN,N-dimethyl-2-[3-(methylamino)-9-azabicyclo[3.3.1]nonan-9-yl]acetamide
SMILESCNC1CC2CCCC(C1)N2CC(=O)N(C)C
InChIInChI=1S/C13H25N3O/c1-14-10-7-11-5-4-6-12(8-10)16(11)9-13(17)15(2)3/h10-12,14H,4-9H2,1-3H3
InChIKeyONLNBONJWQCWGD-UHFFFAOYSA-N
MW239.36 g/mol
LogP0.68
Rot. Bonds3

About N,N-dimethyl-2-[3-(methylamino)-9-azabicyclo[3.3.1]nonan-9-yl]acetamide

N,N-dimethyl-2-[3-(methylamino)-9-azabicyclo[3.3.1]nonan-9-yl]acetamide (PubChem CID 62713631) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is N,N-dimethyl-2-[3-(methylamino)-9-azabicyclo[3.3.1]nonan-9-yl]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[3-(methylamino)-9-azabicyclo[3.3.1]nonan-9-yl]acetamide
PubChem CID62713631
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC NameN,N-dimethyl-2-[3-(methylamino)-9-azabicyclo[3.3.1]nonan-9-yl]acetamide
SMILESCNC1CC2CCCC(C1)N2CC(=O)N(C)C
InChIInChI=1S/C13H25N3O/c1-14-10-7-11-5-4-6-12(8-10)16(11)9-13(17)15(2)3/h10-12,14H,4-9H2,1-3H3
InChIKeyONLNBONJWQCWGD-UHFFFAOYSA-N
XLogP0.68
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-methyl-2-[3-(methylamino)-8-azabicyclo[3.2.1]octan-8-yl]acetamide
CID 114134708
N-cyclopropyl-2-[3-(methylamino)-9-azabicyclo[3.3.1]nonan-9-yl]acetamide
CID 62712025
N-methyl-9-(2-methylprop-2-enyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 114619140
9-(cyclopropylmethyl)-N-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 62713964
5-[3-(methylamino)-9-azabicyclo[3.3.1]nonan-9-yl]pentanamide
CID 106239200
3-N,9-N,9-N-trimethyl-9-azabicyclo[3.3.1]nonane-3,9-diamine
CID 83024603
2-(2,5-dimethylpyrrolidin-1-yl)-N,N-dimethylacetamide
CID 126990033
2-[2-[3-(methylamino)-9-azabicyclo[3.3.1]nonan-9-yl]ethoxy]acetamide
CID 106239219
N-methyl-9-(3-methyl-2-propan-2-ylbutyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 102908223
N-methyl-2-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]-N-propan-2-ylacetamide
CID 65470299
2-(azetidin-1-yl)-N,N-dimethylacetamide
CID 69256971
N,N-dimethyl-2-[(1R,5S)-3-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[2,3-d]pyrimidin-2-yl]amino]-9-azabicyclo[3.3.1]nonan-9-yl]acetamide
CID 146645011

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[3-(methylamino)-9-azabicyclo[3.3.1]nonan-9-yl]acetamide?
The IUPAC name of N,N-dimethyl-2-[3-(methylamino)-9-azabicyclo[3.3.1]nonan-9-yl]acetamide (CID 62713631) is N,N-dimethyl-2-[3-(methylamino)-9-azabicyclo[3.3.1]nonan-9-yl]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[3-(methylamino)-9-azabicyclo[3.3.1]nonan-9-yl]acetamide?
The canonical SMILES for N,N-dimethyl-2-[3-(methylamino)-9-azabicyclo[3.3.1]nonan-9-yl]acetamide is CNC1CC2CCCC(C1)N2CC(=O)N(C)C.
What is the InChIKey of N,N-dimethyl-2-[3-(methylamino)-9-azabicyclo[3.3.1]nonan-9-yl]acetamide?
The InChIKey is ONLNBONJWQCWGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-14-10-7-11-5-4-6-12(8-10)16(11)9-13(17)15(2)3/h10-12,14H,4-9H2,1-3H3.
What are the key properties of N,N-dimethyl-2-[3-(methylamino)-9-azabicyclo[3.3.1]nonan-9-yl]acetamide?
N,N-dimethyl-2-[3-(methylamino)-9-azabicyclo[3.3.1]nonan-9-yl]acetamide has a molecular weight of 239.36 g/mol, XLogP of 0.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[3-(methylamino)-9-azabicyclo[3.3.1]nonan-9-yl]acetamide is sourced from PubChem (CID 62713631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).