1-(2-bicyclo[3.3.2]decanyl)-N-methylethanamine

C13H25N — CID 135191136

IUPAC1-(2-bicyclo[3.3.2]decanyl)-N-methylethanamine
SMILESCNC(C)C1CCC2CCCC1CC2
InChIInChI=1S/C13H25N/c1-10(14-2)13-9-7-11-4-3-5-12(13)8-6-11/h10-14H,3-9H2,1-2H3
InChIKeyUFXNYVKCVCOUMS-UHFFFAOYSA-N
MW195.35 g/mol
LogP3.20
Rot. Bonds2

About 1-(2-bicyclo[3.3.2]decanyl)-N-methylethanamine

1-(2-bicyclo[3.3.2]decanyl)-N-methylethanamine (PubChem CID 135191136) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is 1-(2-bicyclo[3.3.2]decanyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(2-bicyclo[3.3.2]decanyl)-N-methylethanamine
PubChem CID135191136
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC Name1-(2-bicyclo[3.3.2]decanyl)-N-methylethanamine
SMILESCNC(C)C1CCC2CCCC1CC2
InChIInChI=1S/C13H25N/c1-10(14-2)13-9-7-11-4-3-5-12(13)8-6-11/h10-14H,3-9H2,1-2H3
InChIKeyUFXNYVKCVCOUMS-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

N-methyl-1-[(2S)-2-methylcyclohexyl]ethanamine
CID 89083214
cis-(1S,2S)-2-[1-(methylamino)ethyl]cyclobutane-1-carbonitrile
CID 134504917
N-[(1R)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]cyclobutanamine
CID 98119580
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-cyclopropylcyclohexan-1-amine
CID 64594055
1-cyclopentyl-N-methylethanamine;ethane
CID 142106515
bis(2,3,3a,4,5,6,7,7a-octahydro-1H-indene);tetrakis(1,2,3,3a,4,5,6,6a-octahydropentalene);hexakis(2-methylpropane)
CID 161375940
1-cyclohexyl-N-methylethanamine;hydrochloride
CID 102555174
1-cyclohexyl-N-methylethanamine;ethane
CID 143356514
CID 162293667
CID 162293667
1-cyclopropyl-N-methylethanamine;hydrochloride
CID 24649766
1-(2-bicyclo[2.2.2]octanyl)ethylcyanamide
CID 131160771
(2S)-1-(3-azabicyclo[3.3.1]nonan-3-yl)-N-methylpropan-2-amine
CID 130564079

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[3.3.2]decanyl)-N-methylethanamine?
The IUPAC name of 1-(2-bicyclo[3.3.2]decanyl)-N-methylethanamine (CID 135191136) is 1-(2-bicyclo[3.3.2]decanyl)-N-methylethanamine.
What is the SMILES notation for 1-(2-bicyclo[3.3.2]decanyl)-N-methylethanamine?
The canonical SMILES for 1-(2-bicyclo[3.3.2]decanyl)-N-methylethanamine is CNC(C)C1CCC2CCCC1CC2.
What is the InChIKey of 1-(2-bicyclo[3.3.2]decanyl)-N-methylethanamine?
The InChIKey is UFXNYVKCVCOUMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N/c1-10(14-2)13-9-7-11-4-3-5-12(13)8-6-11/h10-14H,3-9H2,1-2H3.
What are the key properties of 1-(2-bicyclo[3.3.2]decanyl)-N-methylethanamine?
1-(2-bicyclo[3.3.2]decanyl)-N-methylethanamine 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 1-(2-bicyclo[3.3.2]decanyl)-N-methylethanamine is sourced from PubChem (CID 135191136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).