N-pentan-2-yl-1-azabicyclo[2.2.2]octan-3-amine

C12H24N2 — CID 43195141

IUPACN-pentan-2-yl-1-azabicyclo[2.2.2]octan-3-amine
SMILESCCCC(C)NC1CN2CCC1CC2
InChIInChI=1S/C12H24N2/c1-3-4-10(2)13-12-9-14-7-5-11(12)6-8-14/h10-13H,3-9H2,1-2H3
InChIKeyQDBNIDLEMCTMOY-UHFFFAOYSA-N
MW196.34 g/mol
LogP1.86
Rot. Bonds4

About N-pentan-2-yl-1-azabicyclo[2.2.2]octan-3-amine

N-pentan-2-yl-1-azabicyclo[2.2.2]octan-3-amine (PubChem CID 43195141) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is N-pentan-2-yl-1-azabicyclo[2.2.2]octan-3-amine.

Molecular Properties

Compound NameN-pentan-2-yl-1-azabicyclo[2.2.2]octan-3-amine
PubChem CID43195141
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC NameN-pentan-2-yl-1-azabicyclo[2.2.2]octan-3-amine
SMILESCCCC(C)NC1CN2CCC1CC2
InChIInChI=1S/C12H24N2/c1-3-4-10(2)13-12-9-14-7-5-11(12)6-8-14/h10-13H,3-9H2,1-2H3
InChIKeyQDBNIDLEMCTMOY-UHFFFAOYSA-N
XLogP1.86
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-pentan-2-yl-1-azabicyclo[2.2.2]octan-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-propan-2-yl-1-azabicyclo[2.2.2]octan-3-amine
CID 20628086
N-(1-pyrrolidin-1-ylpropan-2-yl)-1-azabicyclo[2.2.2]octan-3-amine
CID 61471660
2-(1-azabicyclo[2.2.2]octan-3-ylamino)pentanoic acid
CID 65055562
2-(1-azabicyclo[2.2.2]octan-3-ylamino)-N-pentan-2-ylacetamide
CID 60690885
(2R)-2-(1-azabicyclo[2.2.2]octan-3-ylamino)butan-1-ol
CID 104868776
N-[(1S)-1-cycloheptylethyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 81388433
N-(4-methoxybutan-2-yl)-1-azabicyclo[3.2.1]octan-4-amine
CID 105364641
N-(1-ethoxypropan-2-yl)-1-azabicyclo[3.2.1]octan-4-amine
CID 105364511
2-(1-azabicyclo[2.2.2]octan-3-ylamino)-N-propan-2-ylpropanamide
CID 43084857
1-N-methyl-2-N-pentan-2-ylcyclohexane-1,2-diamine
CID 70316419
methyl 3-(1-azabicyclo[2.2.2]octan-3-ylamino)-2-methylbutanoate
CID 79392048
N-(3-methylpentan-2-yl)-1-azabicyclo[3.2.1]octan-4-amine
CID 105364480

Frequently Asked Questions

What is the IUPAC name of N-pentan-2-yl-1-azabicyclo[2.2.2]octan-3-amine?
The IUPAC name of N-pentan-2-yl-1-azabicyclo[2.2.2]octan-3-amine (CID 43195141) is N-pentan-2-yl-1-azabicyclo[2.2.2]octan-3-amine.
What is the SMILES notation for N-pentan-2-yl-1-azabicyclo[2.2.2]octan-3-amine?
The canonical SMILES for N-pentan-2-yl-1-azabicyclo[2.2.2]octan-3-amine is CCCC(C)NC1CN2CCC1CC2.
What is the InChIKey of N-pentan-2-yl-1-azabicyclo[2.2.2]octan-3-amine?
The InChIKey is QDBNIDLEMCTMOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c1-3-4-10(2)13-12-9-14-7-5-11(12)6-8-14/h10-13H,3-9H2,1-2H3.
What are the key properties of N-pentan-2-yl-1-azabicyclo[2.2.2]octan-3-amine?
N-pentan-2-yl-1-azabicyclo[2.2.2]octan-3-amine has a molecular weight of 196.34 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentan-2-yl-1-azabicyclo[2.2.2]octan-3-amine is sourced from PubChem (CID 43195141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).