2-pentan-2-ylbicyclo[2.2.1]heptan-2-amine

C12H23N — CID 107898475

IUPAC2-pentan-2-ylbicyclo[2.2.1]heptan-2-amine
SMILESCCCC(C)C1(N)CC2CCC1C2
InChIInChI=1S/C12H23N/c1-3-4-9(2)12(13)8-10-5-6-11(12)7-10/h9-11H,3-8,13H2,1-2H3
InChIKeyPGMBTSRWBRLFEI-UHFFFAOYSA-N
MW181.32 g/mol
LogP2.94
Rot. Bonds3

About 2-pentan-2-ylbicyclo[2.2.1]heptan-2-amine

2-pentan-2-ylbicyclo[2.2.1]heptan-2-amine (PubChem CID 107898475) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is 2-pentan-2-ylbicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound Name2-pentan-2-ylbicyclo[2.2.1]heptan-2-amine
PubChem CID107898475
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name2-pentan-2-ylbicyclo[2.2.1]heptan-2-amine
SMILESCCCC(C)C1(N)CC2CCC1C2
InChIInChI=1S/C12H23N/c1-3-4-9(2)12(13)8-10-5-6-11(12)7-10/h9-11H,3-8,13H2,1-2H3
InChIKeyPGMBTSRWBRLFEI-UHFFFAOYSA-N
XLogP2.94
TPSA26.02 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 ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-pentan-2-ylbicyclo[2.2.1]heptane-2-carbonitrile
CID 130514472
2-pentan-2-ylbicyclo[2.2.1]heptane-2-carboxylic acid
CID 107889036
2,5-dimethyl-1-pentan-2-ylcyclohexan-1-amine
CID 107892414
2-(3-methylbutyl)bicyclo[2.2.1]heptan-2-amine
CID 65019888
(2R)-2-butan-2-yl-2-methylbicyclo[2.2.1]heptane
CID 59033980
2-methyl-2-propylbicyclo[2.2.1]heptane
CID 20587119
2-methyl-1-pentan-2-ylcyclohexan-1-amine
CID 107892270
2-(2-propan-2-ylsulfonylethyl)bicyclo[2.2.1]heptan-2-amine
CID 106733831
(1S,2S,4R)-2-methylbicyclo[2.2.1]heptan-2-amine
CID 131148084
(1R,2S,4S)-2-methylbicyclo[2.2.1]heptan-2-amine;hydrochloride
CID 178190368
(2-propoxy-2-bicyclo[2.2.1]heptanyl)methanamine
CID 165495975
3,4-dimethyl-1-pentan-2-ylcyclohexan-1-amine
CID 107892409

Frequently Asked Questions

What is the IUPAC name of 2-pentan-2-ylbicyclo[2.2.1]heptan-2-amine?
The IUPAC name of 2-pentan-2-ylbicyclo[2.2.1]heptan-2-amine (CID 107898475) is 2-pentan-2-ylbicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for 2-pentan-2-ylbicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for 2-pentan-2-ylbicyclo[2.2.1]heptan-2-amine is CCCC(C)C1(N)CC2CCC1C2.
What is the InChIKey of 2-pentan-2-ylbicyclo[2.2.1]heptan-2-amine?
The InChIKey is PGMBTSRWBRLFEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-3-4-9(2)12(13)8-10-5-6-11(12)7-10/h9-11H,3-8,13H2,1-2H3.
What are the key properties of 2-pentan-2-ylbicyclo[2.2.1]heptan-2-amine?
2-pentan-2-ylbicyclo[2.2.1]heptan-2-amine has a molecular weight of 181.32 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentan-2-ylbicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 107898475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).