(1S)-1,2-dimethyl-2-azabicyclo[3.3.1]nonane

C10H19N — CID 174346440

IUPAC(1S)-1,2-dimethyl-2-azabicyclo[3.3.1]nonane
SMILESCN1CCC2CCC[C@@]1(C)C2
InChIInChI=1S/C10H19N/c1-10-6-3-4-9(8-10)5-7-11(10)2/h9H,3-8H2,1-2H3/t9?,10-/m0/s1
InChIKeyBDAMPHQQTLFNSD-AXDSSHIGSA-N
MW153.27 g/mol
LogP2.27
Rot. Bonds

About (1S)-1,2-dimethyl-2-azabicyclo[3.3.1]nonane

(1S)-1,2-dimethyl-2-azabicyclo[3.3.1]nonane (PubChem CID 174346440) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is (1S)-1,2-dimethyl-2-azabicyclo[3.3.1]nonane.

Molecular Properties

Compound Name(1S)-1,2-dimethyl-2-azabicyclo[3.3.1]nonane
PubChem CID174346440
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name(1S)-1,2-dimethyl-2-azabicyclo[3.3.1]nonane
SMILESCN1CCC2CCC[C@@]1(C)C2
InChIInChI=1S/C10H19N/c1-10-6-3-4-9(8-10)5-7-11(10)2/h9H,3-8H2,1-2H3/t9?,10-/m0/s1
InChIKeyBDAMPHQQTLFNSD-AXDSSHIGSA-N
XLogP2.27
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Ammonium, (4-(3-azabicyclo(3.3.1)non-3-yl)butyl)trimethyl-, iodide
CID 46802
Ammonium, (3-(3-azabicyclo(3.3.1)non-3-yl)propyl)trimethyl-, iodide
CID 46806
3-Methyl-3-azabicyclo[3.3.1]nonane
CID 59650
2-Methyl-2-azabicyclo[3.3.1]nonane
CID 10130000
5-Azatricyclo[6,3,1,0 1,5]dodecane
CID 10219595
3-Butyl-3-azabicyclo[3.3.1]nonane
CID 59648
7-Fluoro-3-propan-2-yl-3-azabicyclo[3.3.1]nonane
CID 170676455
3,3-Dimethyl-3-azoniabicyclo[3.3.1]nonane
CID 74031730
4-Azatricyclo[5.3.1.04,9]undecane
CID 132544181
(7S)-4-azatricyclo[5.3.1.04,9]undecane
CID 134839162
(1R,8R)-5-azatricyclo[6.3.1.01,5]dodecane
CID 146161692
4-(3-Azabicyclo[3.3.1]nonan-3-yl)butyl-trimethylazanium
CID 46803

Frequently Asked Questions

What is the IUPAC name of (1S)-1,2-dimethyl-2-azabicyclo[3.3.1]nonane?
The IUPAC name of (1S)-1,2-dimethyl-2-azabicyclo[3.3.1]nonane (CID 174346440) is (1S)-1,2-dimethyl-2-azabicyclo[3.3.1]nonane.
What is the SMILES notation for (1S)-1,2-dimethyl-2-azabicyclo[3.3.1]nonane?
The canonical SMILES for (1S)-1,2-dimethyl-2-azabicyclo[3.3.1]nonane is CN1CCC2CCC[C@@]1(C)C2.
What is the InChIKey of (1S)-1,2-dimethyl-2-azabicyclo[3.3.1]nonane?
The InChIKey is BDAMPHQQTLFNSD-AXDSSHIGSA-N. The full InChI is InChI=1S/C10H19N/c1-10-6-3-4-9(8-10)5-7-11(10)2/h9H,3-8H2,1-2H3/t9?,10-/m0/s1.
What are the key properties of (1S)-1,2-dimethyl-2-azabicyclo[3.3.1]nonane?
(1S)-1,2-dimethyl-2-azabicyclo[3.3.1]nonane has a molecular weight of 153.27 g/mol, XLogP of 2.27, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1,2-dimethyl-2-azabicyclo[3.3.1]nonane is sourced from PubChem (CID 174346440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).