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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Related Compounds

14,14-dimethyl-N-propylbicyclo[10.2.0]tetradecan-13-amine
CID 81422701
7,7-dimethyl-N-propylbicyclo[3.2.0]heptan-6-amine
CID 81422181
(2R)-1-[[(1S,6R)-8,8-dimethyl-7-bicyclo[4.2.0]octanyl]amino]propan-2-ol
CID 103906690
(1S,6R)-N-(2-chloroprop-2-enyl)-8,8-dimethylbicyclo[4.2.0]octan-7-amine
CID 103902378
(1S,6R)-8,8-dimethyl-N-(2-methylsulfinylethyl)bicyclo[4.2.0]octan-7-amine
CID 103816158
2-[[(1S,6R)-8,8-dimethyl-7-bicyclo[4.2.0]octanyl]amino]propane-1,3-diol
CID 103816162
10,10-diethyl-N-methylbicyclo[6.2.0]decan-9-amine
CID 81421950
7,7-dimethyl-1,2,3,3a,3b,4,5,6,6a,7a-decahydrocyclopenta[a]pentalene
CID 85195042
(9aR)-9-cyclohexyl-10,10-dimethyl-2,3,4,4a,5,6,7,8,8a,9,9a,10a-dodecahydro-1H-anthracene
CID 140752694
7-ethyl-7-methyl-N-propylbicyclo[3.2.0]heptan-6-amine
CID 81422057
N-ethylcyclodecanamine
CID 148546213
N-ethylcyclooctanamine
CID 13112621

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).