9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide

C9H17N3O — CID 79116776

IUPAC9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
SMILESCN1C2CCC1CN(C(N)=O)CC2
InChIInChI=1S/C9H17N3O/c1-11-7-2-3-8(11)6-12(5-4-7)9(10)13/h7-8H,2-6H2,1H3,(H2,10,13)
InChIKeyCBGOKTYYMGYTNW-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.23
Rot. Bonds

About 9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide

9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide (PubChem CID 79116776) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is 9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide.

Molecular Properties

Compound Name9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
PubChem CID79116776
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
SMILESCN1C2CCC1CN(C(N)=O)CC2
InChIInChI=1S/C9H17N3O/c1-11-7-2-3-8(11)6-12(5-4-7)9(10)13/h7-8H,2-6H2,1H3,(H2,10,13)
InChIKeyCBGOKTYYMGYTNW-UHFFFAOYSA-N
XLogP0.23
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-1-one
CID 79170601
N,N,9-trimethyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
CID 115667112
1-[(1S,6R)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]prop-2-en-1-one
CID 124671083
2-chloro-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)prop-2-en-1-one
CID 131002516
9-methyl-N-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
CID 115667395
propan-2-yl 9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxylate
CID 116656597
N'-hydroxy-3-methyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)butanimidamide
CID 79170206
3-methyl-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)cyclobutane-1-carbothioamide
CID 80590977
2-methyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)butanethioamide
CID 114292403
(4-methylcyclohexyl)-[(1S,6R)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methanone
CID 95933340
2-amino-3-methoxy-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-1-one
CID 81101479
[(1S)-2,2-dichlorocyclopropyl]-[(1S,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methanone
CID 129422315

Frequently Asked Questions

What is the IUPAC name of 9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide?
The IUPAC name of 9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide (CID 79116776) is 9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide.
What is the SMILES notation for 9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide?
The canonical SMILES for 9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide is CN1C2CCC1CN(C(N)=O)CC2.
What is the InChIKey of 9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide?
The InChIKey is CBGOKTYYMGYTNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-11-7-2-3-8(11)6-12(5-4-7)9(10)13/h7-8H,2-6H2,1H3,(H2,10,13).
What are the key properties of 9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide?
9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide has a molecular weight of 183.25 g/mol, XLogP of 0.23, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide is sourced from PubChem (CID 79116776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).