3-N,9-N,9-N-trimethyl-9-azabicyclo[3.3.1]nonane-3,9-diamine

C11H23N3 — CID 83024603

IUPAC3-N,9-N,9-N-trimethyl-9-azabicyclo[3.3.1]nonane-3,9-diamine
SMILESCNC1CC2CCCC(C1)N2N(C)C
InChIInChI=1S/C11H23N3/c1-12-9-7-10-5-4-6-11(8-9)14(10)13(2)3/h9-12H,4-8H2,1-3H3
InChIKeyBMILEABNXHBRHI-UHFFFAOYSA-N
MW197.33 g/mol
LogP1.07
Rot. Bonds2

About 3-N,9-N,9-N-trimethyl-9-azabicyclo[3.3.1]nonane-3,9-diamine

3-N,9-N,9-N-trimethyl-9-azabicyclo[3.3.1]nonane-3,9-diamine (PubChem CID 83024603) has the molecular formula C11H23N3 and a molecular weight of 197.33 g/mol. Its IUPAC name is 3-N,9-N,9-N-trimethyl-9-azabicyclo[3.3.1]nonane-3,9-diamine.

Molecular Properties

Compound Name3-N,9-N,9-N-trimethyl-9-azabicyclo[3.3.1]nonane-3,9-diamine
PubChem CID83024603
Molecular FormulaC11H23N3
Molecular Weight197.33 g/mol
Exact Mass197.19
IUPAC Name3-N,9-N,9-N-trimethyl-9-azabicyclo[3.3.1]nonane-3,9-diamine
SMILESCNC1CC2CCCC(C1)N2N(C)C
InChIInChI=1S/C11H23N3/c1-12-9-7-10-5-4-6-11(8-9)14(10)13(2)3/h9-12H,4-8H2,1-3H3
InChIKeyBMILEABNXHBRHI-UHFFFAOYSA-N
XLogP1.07
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.33
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-ethyl-9-N,9-N-dimethyl-9-azabicyclo[3.3.1]nonane-3,9-diamine
CID 83024792
N-methyl-9-(3,4,5-trifluorophenyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 62812956
N-methyl-9-(2-methylcyclopropyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 62712235
N,N-dimethyl-2-[3-(methylamino)-9-azabicyclo[3.3.1]nonan-9-yl]acetamide
CID 62713631
9-(cyclopropylmethyl)-N-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 62713964
8-cyclooctyl-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 55106808
N-methyl-8-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-8-azabicyclo[3.2.1]octan-3-amine
CID 65472059
trans-(1S,3S)-1-N,1-N,3-N-trimethylcyclohexane-1,3-diamine
CID 139514025
9-(2,3-difluorophenyl)-N-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 62713642
9-[2-(dimethylamino)phenyl]-N-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 106760806
N-methyl-9-(2-methylprop-2-enyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 114619140
N-methyl-9-(3-methyl-2-propan-2-ylbutyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 102908223

Frequently Asked Questions

What is the IUPAC name of 3-N,9-N,9-N-trimethyl-9-azabicyclo[3.3.1]nonane-3,9-diamine?
The IUPAC name of 3-N,9-N,9-N-trimethyl-9-azabicyclo[3.3.1]nonane-3,9-diamine (CID 83024603) is 3-N,9-N,9-N-trimethyl-9-azabicyclo[3.3.1]nonane-3,9-diamine.
What is the SMILES notation for 3-N,9-N,9-N-trimethyl-9-azabicyclo[3.3.1]nonane-3,9-diamine?
The canonical SMILES for 3-N,9-N,9-N-trimethyl-9-azabicyclo[3.3.1]nonane-3,9-diamine is CNC1CC2CCCC(C1)N2N(C)C.
What is the InChIKey of 3-N,9-N,9-N-trimethyl-9-azabicyclo[3.3.1]nonane-3,9-diamine?
The InChIKey is BMILEABNXHBRHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3/c1-12-9-7-10-5-4-6-11(8-9)14(10)13(2)3/h9-12H,4-8H2,1-3H3.
What are the key properties of 3-N,9-N,9-N-trimethyl-9-azabicyclo[3.3.1]nonane-3,9-diamine?
3-N,9-N,9-N-trimethyl-9-azabicyclo[3.3.1]nonane-3,9-diamine has a molecular weight of 197.33 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,9-N,9-N-trimethyl-9-azabicyclo[3.3.1]nonane-3,9-diamine is sourced from PubChem (CID 83024603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).