4-(2-azabicyclo[2.2.1]heptan-2-yl)-2-methoxybutan-1-amine

C11H22N2O — CID 103152342

IUPAC4-(2-azabicyclo[2.2.1]heptan-2-yl)-2-methoxybutan-1-amine
SMILESCOC(CN)CCN1CC2CCC1C2
InChIInChI=1S/C11H22N2O/c1-14-11(7-12)4-5-13-8-9-2-3-10(13)6-9/h9-11H,2-8,12H2,1H3
InChIKeyHVCVOTQNAGTKQN-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.83
Rot. Bonds5

About 4-(2-azabicyclo[2.2.1]heptan-2-yl)-2-methoxybutan-1-amine

4-(2-azabicyclo[2.2.1]heptan-2-yl)-2-methoxybutan-1-amine (PubChem CID 103152342) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 4-(2-azabicyclo[2.2.1]heptan-2-yl)-2-methoxybutan-1-amine.

Molecular Properties

Compound Name4-(2-azabicyclo[2.2.1]heptan-2-yl)-2-methoxybutan-1-amine
PubChem CID103152342
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name4-(2-azabicyclo[2.2.1]heptan-2-yl)-2-methoxybutan-1-amine
SMILESCOC(CN)CCN1CC2CCC1C2
InChIInChI=1S/C11H22N2O/c1-14-11(7-12)4-5-13-8-9-2-3-10(13)6-9/h9-11H,2-8,12H2,1H3
InChIKeyHVCVOTQNAGTKQN-UHFFFAOYSA-N
XLogP0.83
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(2-azabicyclo[2.2.1]heptan-2-yl)-2-methoxybutan-1-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

2-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]ethanamine
CID 94247679
4-amino-1-(2-azabicyclo[2.2.1]heptan-2-yl)-3-methoxybutan-1-one
CID 103155667
4-(2-ethylpyrrolidin-1-yl)-2-methoxybutan-1-amine
CID 103152222
2-(3-fluoropropyl)-2-azabicyclo[2.2.1]heptane
CID 130686554
4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-methoxybutan-1-amine
CID 103152610
4-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(methylamino)butanamide
CID 63054642
3-(aminomethyl)-6-(2-azabicyclo[2.2.1]heptan-2-yl)hexan-3-ol
CID 106811259
4-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-methoxybutan-1-amine
CID 103152801
1-(2-azabicyclo[2.2.1]heptan-2-yl)-N,4,4-trimethylpentan-3-amine
CID 62624858
4-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(methylamino)butan-1-ol
CID 64826359
2-ethyl-2-azabicyclo[2.2.1]heptane
CID 20576
3-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(4-methylphenyl)propan-1-amine
CID 62617406

Frequently Asked Questions

What is the IUPAC name of 4-(2-azabicyclo[2.2.1]heptan-2-yl)-2-methoxybutan-1-amine?
The IUPAC name of 4-(2-azabicyclo[2.2.1]heptan-2-yl)-2-methoxybutan-1-amine (CID 103152342) is 4-(2-azabicyclo[2.2.1]heptan-2-yl)-2-methoxybutan-1-amine.
What is the SMILES notation for 4-(2-azabicyclo[2.2.1]heptan-2-yl)-2-methoxybutan-1-amine?
The canonical SMILES for 4-(2-azabicyclo[2.2.1]heptan-2-yl)-2-methoxybutan-1-amine is COC(CN)CCN1CC2CCC1C2.
What is the InChIKey of 4-(2-azabicyclo[2.2.1]heptan-2-yl)-2-methoxybutan-1-amine?
The InChIKey is HVCVOTQNAGTKQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-14-11(7-12)4-5-13-8-9-2-3-10(13)6-9/h9-11H,2-8,12H2,1H3.
What are the key properties of 4-(2-azabicyclo[2.2.1]heptan-2-yl)-2-methoxybutan-1-amine?
4-(2-azabicyclo[2.2.1]heptan-2-yl)-2-methoxybutan-1-amine has a molecular weight of 198.31 g/mol, XLogP of 0.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-azabicyclo[2.2.1]heptan-2-yl)-2-methoxybutan-1-amine is sourced from PubChem (CID 103152342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).