4-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(methylamino)butan-1-ol

C11H22N2O — CID 64826359

IUPAC4-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(methylamino)butan-1-ol
SMILESCNC(CO)CCN1CC2CCC1C2
InChIInChI=1S/C11H22N2O/c1-12-10(8-14)4-5-13-7-9-2-3-11(13)6-9/h9-12,14H,2-8H2,1H3
InChIKeyVOIAPXFROPCJHC-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.44
Rot. Bonds5

About 4-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(methylamino)butan-1-ol

4-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(methylamino)butan-1-ol (PubChem CID 64826359) 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-(methylamino)butan-1-ol.

Molecular Properties

Compound Name4-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(methylamino)butan-1-ol
PubChem CID64826359
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name4-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(methylamino)butan-1-ol
SMILESCNC(CO)CCN1CC2CCC1C2
InChIInChI=1S/C11H22N2O/c1-12-10(8-14)4-5-13-7-9-2-3-11(13)6-9/h9-12,14H,2-8H2,1H3
InChIKeyVOIAPXFROPCJHC-UHFFFAOYSA-N
XLogP0.44
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(methylamino)butanoic acid
CID 63054817
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)butanamide
CID 63054642
5-(2-azabicyclo[2.2.1]heptan-2-yl)pentan-1-ol
CID 62228228
2-(methylamino)-4-(2,3,5-trimethylpiperidin-1-yl)butan-1-ol
CID 114597515
5-(2-azabicyclo[2.2.1]heptan-2-yl)-2-ethyl-2-(methylamino)pentan-1-ol
CID 106809483
4-(2-ethylpiperidin-1-yl)-2-(methylamino)butan-1-ol
CID 64797863
4-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-(methylamino)butan-1-ol
CID 102728915
2-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]ethanamine
CID 94247679
5-(2-azabicyclo[2.2.1]heptan-2-yl)-N-(2-methylpropyl)pentan-1-amine
CID 55072518
4-(2-azabicyclo[2.2.1]heptan-2-yl)-2-methoxybutan-1-amine
CID 103152342
2-ethyl-2-azabicyclo[2.2.1]heptane
CID 20576

Frequently Asked Questions

What is the IUPAC name of 4-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(methylamino)butan-1-ol?
The IUPAC name of 4-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(methylamino)butan-1-ol (CID 64826359) is 4-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(methylamino)butan-1-ol.
What is the SMILES notation for 4-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(methylamino)butan-1-ol?
The canonical SMILES for 4-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(methylamino)butan-1-ol is CNC(CO)CCN1CC2CCC1C2.
What is the InChIKey of 4-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(methylamino)butan-1-ol?
The InChIKey is VOIAPXFROPCJHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-12-10(8-14)4-5-13-7-9-2-3-11(13)6-9/h9-12,14H,2-8H2,1H3.
What are the key properties of 4-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(methylamino)butan-1-ol?
4-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(methylamino)butan-1-ol has a molecular weight of 198.31 g/mol, XLogP of 0.44, 5 rotatable bonds, 2 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-(methylamino)butan-1-ol is sourced from PubChem (CID 64826359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).