7,7-dimethyl-N-propylbicyclo[3.2.0]heptan-6-amine

C12H23N — CID 81422181

IUPAC7,7-dimethyl-N-propylbicyclo[3.2.0]heptan-6-amine
SMILESCCCNC1C2CCCC2C1(C)C
InChIInChI=1S/C12H23N/c1-4-8-13-11-9-6-5-7-10(9)12(11,2)3/h9-11,13H,4-8H2,1-3H3
InChIKeyFFSNPJFSCZELFV-UHFFFAOYSA-N
MW181.32 g/mol
LogP2.81
Rot. Bonds3

About 7,7-dimethyl-N-propylbicyclo[3.2.0]heptan-6-amine

7,7-dimethyl-N-propylbicyclo[3.2.0]heptan-6-amine (PubChem CID 81422181) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is 7,7-dimethyl-N-propylbicyclo[3.2.0]heptan-6-amine.

Molecular Properties

Compound Name7,7-dimethyl-N-propylbicyclo[3.2.0]heptan-6-amine
PubChem CID81422181
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name7,7-dimethyl-N-propylbicyclo[3.2.0]heptan-6-amine
SMILESCCCNC1C2CCCC2C1(C)C
InChIInChI=1S/C12H23N/c1-4-8-13-11-9-6-5-7-10(9)12(11,2)3/h9-11,13H,4-8H2,1-3H3
InChIKeyFFSNPJFSCZELFV-UHFFFAOYSA-N
XLogP2.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 52.81
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-ethyl-7-methyl-N-propylbicyclo[3.2.0]heptan-6-amine
CID 81422057
N-ethyl-9,9-dimethylbicyclo[5.2.0]nonan-8-amine
CID 81422931
(1S,6R)-8,8-dimethyl-N-(2-methylsulfinylethyl)bicyclo[4.2.0]octan-7-amine
CID 103816158
(2R)-1-[[(1S,6R)-8,8-dimethyl-7-bicyclo[4.2.0]octanyl]amino]propan-2-ol
CID 103906690
7,7-dimethyl-1,2,3,3a,3b,4,5,6,6a,7a-decahydrocyclopenta[a]pentalene
CID 85195042
(1S,6R)-N-(2-chloroprop-2-enyl)-8,8-dimethylbicyclo[4.2.0]octan-7-amine
CID 103902378
7,7-dimethyl-N-propyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 54594844
2-[[(1S,6R)-8,8-dimethyl-7-bicyclo[4.2.0]octanyl]amino]propane-1,3-diol
CID 103816162
5-cyclobutyloxy-2,2-dimethyl-N-propylcyclopentan-1-amine
CID 79856523
3,3-dimethyl-N-propylbicyclo[2.2.1]heptan-2-amine;hydrochloride
CID 138397483
(1R,2S,6R,7S,8R)-N-propyltricyclo[5.2.1.02,6]decan-8-amine
CID 124708771

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-N-propylbicyclo[3.2.0]heptan-6-amine?
The IUPAC name of 7,7-dimethyl-N-propylbicyclo[3.2.0]heptan-6-amine (CID 81422181) is 7,7-dimethyl-N-propylbicyclo[3.2.0]heptan-6-amine.
What is the SMILES notation for 7,7-dimethyl-N-propylbicyclo[3.2.0]heptan-6-amine?
The canonical SMILES for 7,7-dimethyl-N-propylbicyclo[3.2.0]heptan-6-amine is CCCNC1C2CCCC2C1(C)C.
What is the InChIKey of 7,7-dimethyl-N-propylbicyclo[3.2.0]heptan-6-amine?
The InChIKey is FFSNPJFSCZELFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-4-8-13-11-9-6-5-7-10(9)12(11,2)3/h9-11,13H,4-8H2,1-3H3.
What are the key properties of 7,7-dimethyl-N-propylbicyclo[3.2.0]heptan-6-amine?
7,7-dimethyl-N-propylbicyclo[3.2.0]heptan-6-amine has a molecular weight of 181.32 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-N-propylbicyclo[3.2.0]heptan-6-amine is sourced from PubChem (CID 81422181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).