(1S,5R)-N,N-dimethyl-3,7-diazabicyclo[3.3.1]nonane-3-carboxamide

C10H19N3O — CID 72697918

IUPAC(1S,5R)-N,N-dimethyl-3,7-diazabicyclo[3.3.1]nonane-3-carboxamide
SMILESCN(C)C(=O)N1C[C@@H]2CNC[C@@H](C2)C1
InChIInChI=1S/C10H19N3O/c1-12(2)10(14)13-6-8-3-9(7-13)5-11-4-8/h8-9,11H,3-7H2,1-2H3/t8-,9+
InChIKeyCKPNFDZYSLSHEO-DTORHVGOSA-N
MW197.28 g/mol
LogP0.21
Rot. Bonds

About (1S,5R)-N,N-dimethyl-3,7-diazabicyclo[3.3.1]nonane-3-carboxamide

(1S,5R)-N,N-dimethyl-3,7-diazabicyclo[3.3.1]nonane-3-carboxamide (PubChem CID 72697918) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is (1S,5R)-N,N-dimethyl-3,7-diazabicyclo[3.3.1]nonane-3-carboxamide.

Molecular Properties

Compound Name(1S,5R)-N,N-dimethyl-3,7-diazabicyclo[3.3.1]nonane-3-carboxamide
PubChem CID72697918
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name(1S,5R)-N,N-dimethyl-3,7-diazabicyclo[3.3.1]nonane-3-carboxamide
SMILESCN(C)C(=O)N1C[C@@H]2CNC[C@@H](C2)C1
InChIInChI=1S/C10H19N3O/c1-12(2)10(14)13-6-8-3-9(7-13)5-11-4-8/h8-9,11H,3-7H2,1-2H3/t8-,9+
InChIKeyCKPNFDZYSLSHEO-DTORHVGOSA-N
XLogP0.21
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,7-Diazabicyclo[3.3.1]nonan-3-yl)propan-1-one
CID 44222896
1-(3,7-Diazabicyclo[3.3.1]nonan-3-yl)ethan-1-one
CID 44223132
3,3-Dimethyl-1-[(1-methylpiperidin-3-yl)methyl]urea
CID 112690170
1,3-Dimethyl-1-[(1-methylpiperidin-3-yl)methyl]urea
CID 115169305
2-Ethyl-2,4,9-triazaspiro[5.5]undecan-3-one
CID 167731155
2-Methyl-2,4,9-triazaspiro[5.5]undecan-3-one
CID 177800747
N-butyl-3,5-dimethyl-1-piperidinecarboxamide
CID 2926433
1-(3-Piperidin-1-ylpropyl)-1,3-diazinan-2-one
CID 44373963
1-[3-(4-Methylpiperidin-1-yl)propyl]-1,3-diazinan-2-one
CID 44374263
3-methyl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]piperidine-1-carboxamide
CID 86768320
(3S)-3-methyl-N-[1-(2-methylpropyl)piperidin-4-yl]piperidine-1-carboxamide
CID 95637927
1-[(1S,5R)-3,7-diazabicyclo[3.3.1]nonan-3-yl]ethanone
CID 67201147

Frequently Asked Questions

What is the IUPAC name of (1S,5R)-N,N-dimethyl-3,7-diazabicyclo[3.3.1]nonane-3-carboxamide?
The IUPAC name of (1S,5R)-N,N-dimethyl-3,7-diazabicyclo[3.3.1]nonane-3-carboxamide (CID 72697918) is (1S,5R)-N,N-dimethyl-3,7-diazabicyclo[3.3.1]nonane-3-carboxamide.
What is the SMILES notation for (1S,5R)-N,N-dimethyl-3,7-diazabicyclo[3.3.1]nonane-3-carboxamide?
The canonical SMILES for (1S,5R)-N,N-dimethyl-3,7-diazabicyclo[3.3.1]nonane-3-carboxamide is CN(C)C(=O)N1C[C@@H]2CNC[C@@H](C2)C1.
What is the InChIKey of (1S,5R)-N,N-dimethyl-3,7-diazabicyclo[3.3.1]nonane-3-carboxamide?
The InChIKey is CKPNFDZYSLSHEO-DTORHVGOSA-N. The full InChI is InChI=1S/C10H19N3O/c1-12(2)10(14)13-6-8-3-9(7-13)5-11-4-8/h8-9,11H,3-7H2,1-2H3/t8-,9+.
What are the key properties of (1S,5R)-N,N-dimethyl-3,7-diazabicyclo[3.3.1]nonane-3-carboxamide?
(1S,5R)-N,N-dimethyl-3,7-diazabicyclo[3.3.1]nonane-3-carboxamide has a molecular weight of 197.28 g/mol, XLogP of 0.21, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-N,N-dimethyl-3,7-diazabicyclo[3.3.1]nonane-3-carboxamide is sourced from PubChem (CID 72697918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).