3-ethyl-9-propan-2-yl-9-azabicyclo[3.3.1]nonane

C13H25N — CID 126703648

IUPAC3-ethyl-9-propan-2-yl-9-azabicyclo[3.3.1]nonane
SMILESCCC1CC2CCCC(C1)N2C(C)C
InChIInChI=1S/C13H25N/c1-4-11-8-12-6-5-7-13(9-11)14(12)10(2)3/h10-13H,4-9H2,1-3H3
InChIKeyGYPLXAIHTRXYGL-UHFFFAOYSA-N
MW195.35 g/mol
LogP3.44
Rot. Bonds2

About 3-ethyl-9-propan-2-yl-9-azabicyclo[3.3.1]nonane

3-ethyl-9-propan-2-yl-9-azabicyclo[3.3.1]nonane (PubChem CID 126703648) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is 3-ethyl-9-propan-2-yl-9-azabicyclo[3.3.1]nonane.

Molecular Properties

Compound Name3-ethyl-9-propan-2-yl-9-azabicyclo[3.3.1]nonane
PubChem CID126703648
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC Name3-ethyl-9-propan-2-yl-9-azabicyclo[3.3.1]nonane
SMILESCCC1CC2CCCC(C1)N2C(C)C
InChIInChI=1S/C13H25N/c1-4-11-8-12-6-5-7-13(9-11)14(12)10(2)3/h10-13H,4-9H2,1-3H3
InChIKeyGYPLXAIHTRXYGL-UHFFFAOYSA-N
XLogP3.44
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-ethyl-9-propan-2-yl-9-azabicyclo[3.3.1]nonane with MolForge

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Related Compounds

(5R)-9-propan-2-yl-9-azabicyclo[3.3.1]nonan-3-amine
CID 162446493
10-propan-2-yl-10-azabicyclo[4.3.1]decane
CID 58967881
8,10-di(propan-2-yl)-10-azabicyclo[4.3.1]decane
CID 59450891
N,N-dimethyl-9-propan-2-yl-9-azabicyclo[3.3.1]nonan-3-amine
CID 174357635
2-(8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-yl)ethanamine
CID 82241138
9-(3-methylpentan-2-yl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 62714722
9-(3-ethylcyclohexyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 64742631
N-ethyl-8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-amine
CID 62741048
(3R)-9-propan-2-yl-9-azabicyclo[4.2.1]nonan-3-amine
CID 175639262
8-benzhydryl-3-ethyl-8-azabicyclo[3.2.1]octane
CID 23381484
ethane;(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine;8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-amine
CID 166167498
1-[(1R,3S)-3-ethylcyclohexyl]-4,4-difluoropiperidine
CID 144886153

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-9-propan-2-yl-9-azabicyclo[3.3.1]nonane?
The IUPAC name of 3-ethyl-9-propan-2-yl-9-azabicyclo[3.3.1]nonane (CID 126703648) is 3-ethyl-9-propan-2-yl-9-azabicyclo[3.3.1]nonane.
What is the SMILES notation for 3-ethyl-9-propan-2-yl-9-azabicyclo[3.3.1]nonane?
The canonical SMILES for 3-ethyl-9-propan-2-yl-9-azabicyclo[3.3.1]nonane is CCC1CC2CCCC(C1)N2C(C)C.
What is the InChIKey of 3-ethyl-9-propan-2-yl-9-azabicyclo[3.3.1]nonane?
The InChIKey is GYPLXAIHTRXYGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N/c1-4-11-8-12-6-5-7-13(9-11)14(12)10(2)3/h10-13H,4-9H2,1-3H3.
What are the key properties of 3-ethyl-9-propan-2-yl-9-azabicyclo[3.3.1]nonane?
3-ethyl-9-propan-2-yl-9-azabicyclo[3.3.1]nonane has a molecular weight of 195.35 g/mol, XLogP of 3.44, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-9-propan-2-yl-9-azabicyclo[3.3.1]nonane is sourced from PubChem (CID 126703648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).