3-ethyl-9-azatricyclo[3.3.1.03,9]nonan-6-amine

C10H18N2 — CID 171831395

IUPAC3-ethyl-9-azatricyclo[3.3.1.03,9]nonan-6-amine
SMILESCCC12CC3CCC(N)C(C1)N32
InChIInChI=1S/C10H18N2/c1-2-10-5-7-3-4-8(11)9(6-10)12(7)10/h7-9H,2-6,11H2,1H3
InChIKeyCRXOXKGAPBFTQU-UHFFFAOYSA-N
MW166.27 g/mol
LogP1.10
Rot. Bonds1

About 3-ethyl-9-azatricyclo[3.3.1.03,9]nonan-6-amine

3-ethyl-9-azatricyclo[3.3.1.03,9]nonan-6-amine (PubChem CID 171831395) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 3-ethyl-9-azatricyclo[3.3.1.03,9]nonan-6-amine.

Molecular Properties

Compound Name3-ethyl-9-azatricyclo[3.3.1.03,9]nonan-6-amine
PubChem CID171831395
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name3-ethyl-9-azatricyclo[3.3.1.03,9]nonan-6-amine
SMILESCCC12CC3CCC(N)C(C1)N32
InChIInChI=1S/C10H18N2/c1-2-10-5-7-3-4-8(11)9(6-10)12(7)10/h7-9H,2-6,11H2,1H3
InChIKeyCRXOXKGAPBFTQU-UHFFFAOYSA-N
XLogP1.10
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,2R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-2-amine
CID 124527057
(1S,2R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-2-amine
CID 124925903
(1R,4R,5R)-1-ethyl-2-methyl-2-azabicyclo[2.2.1]heptan-5-amine
CID 118346527
1-ethyl-5-propan-2-yl-5-azabicyclo[2.1.1]hexane
CID 167001426
[3-(4-ethylpiperidin-1-yl)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methanamine
CID 61421093
1-ethyl-3-methylcyclohexan-1-amine
CID 43809340
(1R,2R,4S)-7-propan-2-yl-7-azabicyclo[2.2.1]heptan-2-amine
CID 164821448
(1R,2S,3R,5S)-2-fluoro-8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-amine
CID 170050723
2-ethyl-2-methylcyclopropan-1-amine
CID 62389905
8-(2,2-diethyloxan-4-yl)-8-azabicyclo[3.2.1]octan-3-amine
CID 83039128
8-ethyl-3-pyrrolidin-1-yl-8-azabicyclo[3.2.1]octane-3-carboxamide
CID 67587387
2,2-diethylcyclopentan-1-amine
CID 165447049

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-9-azatricyclo[3.3.1.03,9]nonan-6-amine?
The IUPAC name of 3-ethyl-9-azatricyclo[3.3.1.03,9]nonan-6-amine (CID 171831395) is 3-ethyl-9-azatricyclo[3.3.1.03,9]nonan-6-amine.
What is the SMILES notation for 3-ethyl-9-azatricyclo[3.3.1.03,9]nonan-6-amine?
The canonical SMILES for 3-ethyl-9-azatricyclo[3.3.1.03,9]nonan-6-amine is CCC12CC3CCC(N)C(C1)N32.
What is the InChIKey of 3-ethyl-9-azatricyclo[3.3.1.03,9]nonan-6-amine?
The InChIKey is CRXOXKGAPBFTQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-2-10-5-7-3-4-8(11)9(6-10)12(7)10/h7-9H,2-6,11H2,1H3.
What are the key properties of 3-ethyl-9-azatricyclo[3.3.1.03,9]nonan-6-amine?
3-ethyl-9-azatricyclo[3.3.1.03,9]nonan-6-amine has a molecular weight of 166.27 g/mol, XLogP of 1.10, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-9-azatricyclo[3.3.1.03,9]nonan-6-amine is sourced from PubChem (CID 171831395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).