1-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]propan-2-ol

C12H24N2O — CID 61231550

IUPAC1-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]propan-2-ol
SMILESCCN(CC(C)O)C1CC2CCC(C1)N2
InChIInChI=1S/C12H24N2O/c1-3-14(8-9(2)15)12-6-10-4-5-11(7-12)13-10/h9-13,15H,3-8H2,1-2H3
InChIKeyQMLPKYPDEMKIPN-UHFFFAOYSA-N
MW212.34 g/mol
LogP0.97
Rot. Bonds4

About 1-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]propan-2-ol

1-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]propan-2-ol (PubChem CID 61231550) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 1-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]propan-2-ol
PubChem CID61231550
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name1-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]propan-2-ol
SMILESCCN(CC(C)O)C1CC2CCC(C1)N2
InChIInChI=1S/C12H24N2O/c1-3-14(8-9(2)15)12-6-10-4-5-11(7-12)13-10/h9-13,15H,3-8H2,1-2H3
InChIKeyQMLPKYPDEMKIPN-UHFFFAOYSA-N
XLogP0.97
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]propan-2-ol with MolForge

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Related Compounds

N-ethyl-N-(2-ethylbutyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 61231107
1-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]-3-methoxypropan-2-ol
CID 63928215
N-(cyclopropylmethyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61233017
2-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]-N-ethyl-N-methylacetamide
CID 61230973
3-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]-N,N-dimethylpropanamide
CID 61231741
N-(2,3-dichloroprop-2-enyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
CID 79173476
1-N-(8-azabicyclo[3.2.1]octan-3-yl)-1-N-methylpropane-1,2-diamine
CID 130709624
N-(2-cyclopentylethyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
CID 114191604
1-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-3-ethoxypropan-2-ol
CID 63933610
tert-butyl 2-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]acetate
CID 61230595
1-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-3-methoxypropan-2-ol
CID 63928214
N-ethyl-N-(4-methoxybutyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 104648573

Frequently Asked Questions

What is the IUPAC name of 1-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]propan-2-ol?
The IUPAC name of 1-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]propan-2-ol (CID 61231550) is 1-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]propan-2-ol.
What is the SMILES notation for 1-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]propan-2-ol?
The canonical SMILES for 1-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]propan-2-ol is CCN(CC(C)O)C1CC2CCC(C1)N2.
What is the InChIKey of 1-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]propan-2-ol?
The InChIKey is QMLPKYPDEMKIPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-3-14(8-9(2)15)12-6-10-4-5-11(7-12)13-10/h9-13,15H,3-8H2,1-2H3.
What are the key properties of 1-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]propan-2-ol?
1-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]propan-2-ol has a molecular weight of 212.34 g/mol, XLogP of 0.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]propan-2-ol is sourced from PubChem (CID 61231550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).