N-(2-methylpropyl)bicyclo[2.2.2]octan-2-amine

C12H23N — CID 130621528

IUPACN-(2-methylpropyl)bicyclo[2.2.2]octan-2-amine
SMILESCC(C)CNC1CC2CCC1CC2
InChIInChI=1S/C12H23N/c1-9(2)8-13-12-7-10-3-5-11(12)6-4-10/h9-13H,3-8H2,1-2H3
InChIKeyKOGFSFQVUSZJNG-UHFFFAOYSA-N
MW181.32 g/mol
LogP2.81
Rot. Bonds3

About N-(2-methylpropyl)bicyclo[2.2.2]octan-2-amine

N-(2-methylpropyl)bicyclo[2.2.2]octan-2-amine (PubChem CID 130621528) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is N-(2-methylpropyl)bicyclo[2.2.2]octan-2-amine.

Molecular Properties

Compound NameN-(2-methylpropyl)bicyclo[2.2.2]octan-2-amine
PubChem CID130621528
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC NameN-(2-methylpropyl)bicyclo[2.2.2]octan-2-amine
SMILESCC(C)CNC1CC2CCC1CC2
InChIInChI=1S/C12H23N/c1-9(2)8-13-12-7-10-3-5-11(12)6-4-10/h9-13H,3-8H2,1-2H3
InChIKeyKOGFSFQVUSZJNG-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

1-(2-bicyclo[2.2.1]heptanylamino)-3-methylbutan-2-ol
CID 115886357
(1R,2S,4R)-N-(3-methylbutyl)bicyclo[2.2.1]heptan-2-amine
CID 98119396
N'-(2-bicyclo[2.2.2]octanyl)ethane-1,2-diamine
CID 130691244
N-(2-chloroprop-2-enyl)bicyclo[2.2.2]octan-2-amine
CID 130614419
N-ethylbicyclo[2.2.1]heptan-2-amine
CID 19957372
(2S)-4-[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]amino]butan-2-ol
CID 98118353
N-ethyl-4-methylbicyclo[7.2.2]tridecan-10-amine
CID 170364736
N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-methylpropan-1-amine
CID 124526543
(1R,2R,4R)-N-propylbicyclo[2.2.1]heptan-2-amine
CID 98048766
2-cyclohexyl-N-(2-methylpropyl)cyclohexan-1-amine
CID 43222835
N-(2-methylpropyl)-2-propan-2-ylcyclohexan-1-amine
CID 81301790
(2S,3R)-2-methyl-N-(2-methylpropyl)oxolan-3-amine
CID 97358057

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)bicyclo[2.2.2]octan-2-amine?
The IUPAC name of N-(2-methylpropyl)bicyclo[2.2.2]octan-2-amine (CID 130621528) is N-(2-methylpropyl)bicyclo[2.2.2]octan-2-amine.
What is the SMILES notation for N-(2-methylpropyl)bicyclo[2.2.2]octan-2-amine?
The canonical SMILES for N-(2-methylpropyl)bicyclo[2.2.2]octan-2-amine is CC(C)CNC1CC2CCC1CC2.
What is the InChIKey of N-(2-methylpropyl)bicyclo[2.2.2]octan-2-amine?
The InChIKey is KOGFSFQVUSZJNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-9(2)8-13-12-7-10-3-5-11(12)6-4-10/h9-13H,3-8H2,1-2H3.
What are the key properties of N-(2-methylpropyl)bicyclo[2.2.2]octan-2-amine?
N-(2-methylpropyl)bicyclo[2.2.2]octan-2-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 N-(2-methylpropyl)bicyclo[2.2.2]octan-2-amine is sourced from PubChem (CID 130621528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).