N-ethyl-9,9-dimethylbicyclo[5.2.0]nonan-8-amine

C13H25N — CID 81422931

IUPACN-ethyl-9,9-dimethylbicyclo[5.2.0]nonan-8-amine
SMILESCCNC1C2CCCCCC2C1(C)C
InChIInChI=1S/C13H25N/c1-4-14-12-10-8-6-5-7-9-11(10)13(12,2)3/h10-12,14H,4-9H2,1-3H3
InChIKeyCZFCYUXOMQABHZ-UHFFFAOYSA-N
MW195.35 g/mol
LogP3.20
Rot. Bonds2

About N-ethyl-9,9-dimethylbicyclo[5.2.0]nonan-8-amine

N-ethyl-9,9-dimethylbicyclo[5.2.0]nonan-8-amine (PubChem CID 81422931) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is N-ethyl-9,9-dimethylbicyclo[5.2.0]nonan-8-amine.

Molecular Properties

Compound NameN-ethyl-9,9-dimethylbicyclo[5.2.0]nonan-8-amine
PubChem CID81422931
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC NameN-ethyl-9,9-dimethylbicyclo[5.2.0]nonan-8-amine
SMILESCCNC1C2CCCCCC2C1(C)C
InChIInChI=1S/C13H25N/c1-4-14-12-10-8-6-5-7-9-11(10)13(12,2)3/h10-12,14H,4-9H2,1-3H3
InChIKeyCZFCYUXOMQABHZ-UHFFFAOYSA-N
XLogP3.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-9,9-dimethylbicyclo[5.2.0]nonan-8-amine?
The IUPAC name of N-ethyl-9,9-dimethylbicyclo[5.2.0]nonan-8-amine (CID 81422931) is N-ethyl-9,9-dimethylbicyclo[5.2.0]nonan-8-amine.
What is the SMILES notation for N-ethyl-9,9-dimethylbicyclo[5.2.0]nonan-8-amine?
The canonical SMILES for N-ethyl-9,9-dimethylbicyclo[5.2.0]nonan-8-amine is CCNC1C2CCCCCC2C1(C)C.
What is the InChIKey of N-ethyl-9,9-dimethylbicyclo[5.2.0]nonan-8-amine?
The InChIKey is CZFCYUXOMQABHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N/c1-4-14-12-10-8-6-5-7-9-11(10)13(12,2)3/h10-12,14H,4-9H2,1-3H3.
What are the key properties of N-ethyl-9,9-dimethylbicyclo[5.2.0]nonan-8-amine?
N-ethyl-9,9-dimethylbicyclo[5.2.0]nonan-8-amine has a molecular weight of 195.35 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-9,9-dimethylbicyclo[5.2.0]nonan-8-amine is sourced from PubChem (CID 81422931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).