1-(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)ethanamine

C13H25N — CID 123905764

IUPAC1-(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)ethanamine
SMILESCC1CC2CC(C)CC(C(C)N)(C1)C2
InChIInChI=1S/C13H25N/c1-9-4-12-5-10(2)7-13(6-9,8-12)11(3)14/h9-12H,4-8,14H2,1-3H3
InChIKeyDJCIYMJGQNPAFD-UHFFFAOYSA-N
MW195.35 g/mol
LogP3.19
Rot. Bonds1

About 1-(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)ethanamine

1-(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)ethanamine (PubChem CID 123905764) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is 1-(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)ethanamine.

Molecular Properties

Compound Name1-(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)ethanamine
PubChem CID123905764
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC Name1-(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)ethanamine
SMILESCC1CC2CC(C)CC(C(C)N)(C1)C2
InChIInChI=1S/C13H25N/c1-9-4-12-5-10(2)7-13(6-9,8-12)11(3)14/h9-12H,4-8,14H2,1-3H3
InChIKeyDJCIYMJGQNPAFD-UHFFFAOYSA-N
XLogP3.19
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-1-(1-adamantyl)ethanamine
CID 7048786
1-[(1R)-1-chloroethyl]adamantane
CID 94672919
3-(1-aminoethyl)adamantane-1-thiol
CID 2828167
(5S,7S)-3-[(1R)-1-aminoethyl]adamantane-1-thiol
CID 23309254
(5S,7S)-3-[(1R)-1-aminoethyl]adamantan-1-ol
CID 23309248
1-propan-2-yladamantane;1-propan-2-ylbicyclo[1.1.1]pentane
CID 159977923
1-(1-adamantyl)-2,2-dimethylpropan-1-amine
CID 12619343
1-(1-adamantyl)ethylhydrazine
CID 23008707
2-(1-adamantyl)propan-1-ol
CID 23623999
1-(1,6-dimethyl-4-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl)ethanamine
CID 25134594
1-fluoro-3,7-dimethylbicyclo[3.3.1]nonane
CID 170122585
(1S)-1-(1-adamantyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 166445853

Frequently Asked Questions

What is the IUPAC name of 1-(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)ethanamine?
The IUPAC name of 1-(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)ethanamine (CID 123905764) is 1-(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)ethanamine.
What is the SMILES notation for 1-(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)ethanamine?
The canonical SMILES for 1-(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)ethanamine is CC1CC2CC(C)CC(C(C)N)(C1)C2.
What is the InChIKey of 1-(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)ethanamine?
The InChIKey is DJCIYMJGQNPAFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N/c1-9-4-12-5-10(2)7-13(6-9,8-12)11(3)14/h9-12H,4-8,14H2,1-3H3.
What are the key properties of 1-(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)ethanamine?
1-(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)ethanamine has a molecular weight of 195.35 g/mol, XLogP of 3.19, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)ethanamine is sourced from PubChem (CID 123905764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).