(1R,5S)-3-ethyl-3-azabicyclo[3.3.1]nonan-9-amine

C10H20N2 — CID 39871905

IUPAC(1R,5S)-3-ethyl-3-azabicyclo[3.3.1]nonan-9-amine
SMILESCCN1C[C@H]2CCC[C@@H](C1)C2N
InChIInChI=1S/C10H20N2/c1-2-12-6-8-4-3-5-9(7-12)10(8)11/h8-10H,2-7,11H2,1H3/t8-,9+,10?
InChIKeyQPMVWSUNTYBPJE-ULKQDVFKSA-N
MW168.28 g/mol
LogP1.07
Rot. Bonds1

About (1R,5S)-3-ethyl-3-azabicyclo[3.3.1]nonan-9-amine

(1R,5S)-3-ethyl-3-azabicyclo[3.3.1]nonan-9-amine (PubChem CID 39871905) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is (1R,5S)-3-ethyl-3-azabicyclo[3.3.1]nonan-9-amine.

Molecular Properties

Compound Name(1R,5S)-3-ethyl-3-azabicyclo[3.3.1]nonan-9-amine
PubChem CID39871905
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name(1R,5S)-3-ethyl-3-azabicyclo[3.3.1]nonan-9-amine
SMILESCCN1C[C@H]2CCC[C@@H](C1)C2N
InChIInChI=1S/C10H20N2/c1-2-12-6-8-4-3-5-9(7-12)10(8)11/h8-10H,2-7,11H2,1H3/t8-,9+,10?
InChIKeyQPMVWSUNTYBPJE-ULKQDVFKSA-N
XLogP1.07
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1R,5S)-3-ethyl-3-azabicyclo[3.3.1]nonan-9-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(cyclohexylmethyl)-1-ethylpiperidin-4-amine
CID 2846481
1-methyl-N-(2-methylcyclohexyl)piperidin-4-amine
CID 2846586
1-(Cyclohexylmethyl)piperidin-4-amine
CID 6496941
3-Butyl-1-cyclohexylpiperidin-4-amine
CID 11659120
3,7-Diazabicyclo(3.3.1)nonane, 3,7-dimethyl-2-isopropyl-, dihydrochloride
CID 47334
3-Azabicyclo(3.3.1)nonane, 3-butyl-, hydrobromide
CID 59647
3-Azabicyclo(3.3.1)nonane, 3-methyl-, hydrobromide
CID 59649
1-(4-Methylcyclohexyl)piperidin-4-amine
CID 24699417
3-Azabicyclo[3.3.1]nonan-9-amine
CID 18414513
3-Azoniabicyclo[3.3.1]non-9-ylammonium di-chloride
CID 129744268
9-Azido-3-azabicyclo[3.3.1]nonane
CID 129745006
9-(Pyrrolidin-1-yl)-3-azabicyclo[3.3.1]nonane dihydrochloride
CID 129755468

Frequently Asked Questions

What is the IUPAC name of (1R,5S)-3-ethyl-3-azabicyclo[3.3.1]nonan-9-amine?
The IUPAC name of (1R,5S)-3-ethyl-3-azabicyclo[3.3.1]nonan-9-amine (CID 39871905) is (1R,5S)-3-ethyl-3-azabicyclo[3.3.1]nonan-9-amine.
What is the SMILES notation for (1R,5S)-3-ethyl-3-azabicyclo[3.3.1]nonan-9-amine?
The canonical SMILES for (1R,5S)-3-ethyl-3-azabicyclo[3.3.1]nonan-9-amine is CCN1C[C@H]2CCC[C@@H](C1)C2N.
What is the InChIKey of (1R,5S)-3-ethyl-3-azabicyclo[3.3.1]nonan-9-amine?
The InChIKey is QPMVWSUNTYBPJE-ULKQDVFKSA-N. The full InChI is InChI=1S/C10H20N2/c1-2-12-6-8-4-3-5-9(7-12)10(8)11/h8-10H,2-7,11H2,1H3/t8-,9+,10?.
What are the key properties of (1R,5S)-3-ethyl-3-azabicyclo[3.3.1]nonan-9-amine?
(1R,5S)-3-ethyl-3-azabicyclo[3.3.1]nonan-9-amine has a molecular weight of 168.28 g/mol, XLogP of 1.07, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-3-ethyl-3-azabicyclo[3.3.1]nonan-9-amine is sourced from PubChem (CID 39871905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).