9-methyl-N-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide

C12H23N3O — CID 115667395

IUPAC9-methyl-N-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
SMILESCC(C)NC(=O)N1CCC2CCC(C1)N2C
InChIInChI=1S/C12H23N3O/c1-9(2)13-12(16)15-7-6-10-4-5-11(8-15)14(10)3/h9-11H,4-8H2,1-3H3,(H,13,16)
InChIKeyPDPSVKJCOLOKNJ-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.27
Rot. Bonds1

About 9-methyl-N-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide

9-methyl-N-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide (PubChem CID 115667395) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 9-methyl-N-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide.

Molecular Properties

Compound Name9-methyl-N-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
PubChem CID115667395
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name9-methyl-N-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
SMILESCC(C)NC(=O)N1CCC2CCC(C1)N2C
InChIInChI=1S/C12H23N3O/c1-9(2)13-12(16)15-7-6-10-4-5-11(8-15)14(10)3/h9-11H,4-8H2,1-3H3,(H,13,16)
InChIKeyPDPSVKJCOLOKNJ-UHFFFAOYSA-N
XLogP1.27
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-[(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)amino]hexanoic acid
CID 82846094
(2R)-4-methyl-2-[(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)amino]pentanoic acid
CID 79165632
N-(1-cyclopropylbutan-2-yl)-9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
CID 75423432
N,N,9-trimethyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
CID 115667112
3-(methylamino)-N-propan-2-ylpyrrolidine-1-carboxamide
CID 83697103
4-piperidin-1-yl-N-propan-2-ylpiperidine-1-carboxamide
CID 115582950
(2R)-2-amino-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-1-one
CID 79170601
(1S,6S)-N-[(1R,3S)-3-(cyclopropylcarbamoyl)cyclohexyl]-9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
CID 124733202
3-methyl-2-[[(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)amino]methyl]butanoic acid
CID 79165647
N-[1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)ethyl]-9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
CID 75375403
N,3-di(propan-2-yl)pyrrolidine-1-carboxamide;molecular hydrogen
CID 169182520
propan-2-yl 9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxylate
CID 116656597

Frequently Asked Questions

What is the IUPAC name of 9-methyl-N-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide?
The IUPAC name of 9-methyl-N-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide (CID 115667395) is 9-methyl-N-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide.
What is the SMILES notation for 9-methyl-N-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide?
The canonical SMILES for 9-methyl-N-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide is CC(C)NC(=O)N1CCC2CCC(C1)N2C.
What is the InChIKey of 9-methyl-N-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide?
The InChIKey is PDPSVKJCOLOKNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-9(2)13-12(16)15-7-6-10-4-5-11(8-15)14(10)3/h9-11H,4-8H2,1-3H3,(H,13,16).
What are the key properties of 9-methyl-N-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide?
9-methyl-N-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide has a molecular weight of 225.34 g/mol, XLogP of 1.27, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-N-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide is sourced from PubChem (CID 115667395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).