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

C11H21N3O — CID 115314043

IUPACN-ethyl-N-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
SMILESCCN(C)C(=O)N1CCC2CCC(C1)N2
InChIInChI=1S/C11H21N3O/c1-3-13(2)11(15)14-7-6-9-4-5-10(8-14)12-9/h9-10,12H,3-8H2,1-2H3
InChIKeyYVFBZRZKAYKSKQ-UHFFFAOYSA-N
MW211.31 g/mol
LogP0.88
Rot. Bonds1

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

N-ethyl-N-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide (PubChem CID 115314043) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is N-ethyl-N-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
PubChem CID115314043
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC NameN-ethyl-N-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
SMILESCCN(C)C(=O)N1CCC2CCC(C1)N2
InChIInChI=1S/C11H21N3O/c1-3-13(2)11(15)14-7-6-9-4-5-10(8-14)12-9/h9-10,12H,3-8H2,1-2H3
InChIKeyYVFBZRZKAYKSKQ-UHFFFAOYSA-N
XLogP0.88
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-ethyl-N-methylpyrrolidine-1-carboxamide
CID 79162356
4-amino-N,3-diethyl-N-methylpiperidine-1-carboxamide
CID 81456883
1-[ethyl(methyl)carbamoyl]piperidine-3,4-dicarboxylic acid
CID 112568039
N-ethyl-4-hydroxy-N-methylpiperidine-1-carboxamide
CID 79160344
N,3-diethyl-N-methylpiperidine-1-carboxamide
CID 116654344
4-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N,N-dimethylpiperidine-1-carboxamide
CID 83262147
1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)octan-1-one
CID 81483444
1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-pentoxyethanone;hydrochloride
CID 119635204
3-(aminomethyl)-N-ethyl-N-methylpiperidine-1-carboxamide
CID 79159626
N-ethyl-4-(ethylamino)-N-methylpiperidine-1-carboxamide
CID 79152490
N-ethyl-N-methyl-4-propan-2-ylazepane-1-carboxamide
CID 116656255
N-[[4-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)phenyl]methyl]-N,2-dimethylpropanamide
CID 119637144

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide?
The IUPAC name of N-ethyl-N-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide (CID 115314043) is N-ethyl-N-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide.
What is the SMILES notation for N-ethyl-N-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide?
The canonical SMILES for N-ethyl-N-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide is CCN(C)C(=O)N1CCC2CCC(C1)N2.
What is the InChIKey of N-ethyl-N-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide?
The InChIKey is YVFBZRZKAYKSKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-3-13(2)11(15)14-7-6-9-4-5-10(8-14)12-9/h9-10,12H,3-8H2,1-2H3.
What are the key properties of N-ethyl-N-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide?
N-ethyl-N-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide has a molecular weight of 211.31 g/mol, XLogP of 0.88, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide is sourced from PubChem (CID 115314043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).