4-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-(methylamino)butan-1-ol

C14H28N2O — CID 102728915

IUPAC4-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-(methylamino)butan-1-ol
SMILESCNC(CO)CCN1CCC[C@H]2CCCC[C@H]21
InChIInChI=1S/C14H28N2O/c1-15-13(11-17)8-10-16-9-4-6-12-5-2-3-7-14(12)16/h12-15,17H,2-11H2,1H3/t12-,13?,14-/m1/s1
InChIKeyIELWJRWWGQOBKT-WYAMFQBQSA-N
MW240.39 g/mol
LogP1.61
Rot. Bonds5

About 4-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-(methylamino)butan-1-ol

4-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-(methylamino)butan-1-ol (PubChem CID 102728915) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 4-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-(methylamino)butan-1-ol.

Molecular Properties

Compound Name4-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-(methylamino)butan-1-ol
PubChem CID102728915
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name4-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-(methylamino)butan-1-ol
SMILESCNC(CO)CCN1CCC[C@H]2CCCC[C@H]21
InChIInChI=1S/C14H28N2O/c1-15-13(11-17)8-10-16-9-4-6-12-5-2-3-7-14(12)16/h12-15,17H,2-11H2,1H3/t12-,13?,14-/m1/s1
InChIKeyIELWJRWWGQOBKT-WYAMFQBQSA-N
XLogP1.61
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-(methylamino)butan-1-ol 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

4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-(ethylamino)butan-1-ol
CID 65321982
4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-(cyclopropylamino)butan-1-ol
CID 65322509
4-(2-ethylpiperidin-1-yl)-2-(methylamino)butan-1-ol
CID 64797863
4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-3-(methylamino)butan-1-ol
CID 65321123
4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-(methylamino)butanamide
CID 63053002
methyl 4-(2-cyclopentylpyrrolidin-1-yl)-2-(methylamino)butanoate
CID 63055166
3-(2-cyclopentylpyrrolidin-1-yl)-2-(propan-2-ylamino)propan-1-ol
CID 64826732
4-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]butan-2-amine
CID 102725969
1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-4,4-dimethylpentan-3-ol
CID 62623035
4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-(methylamino)butanenitrile
CID 82750370
1-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-3-methoxy-N-methylpropan-2-amine
CID 107505972
1-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]hexan-3-amine
CID 102726915

Frequently Asked Questions

What is the IUPAC name of 4-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-(methylamino)butan-1-ol?
The IUPAC name of 4-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-(methylamino)butan-1-ol (CID 102728915) is 4-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-(methylamino)butan-1-ol.
What is the SMILES notation for 4-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-(methylamino)butan-1-ol?
The canonical SMILES for 4-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-(methylamino)butan-1-ol is CNC(CO)CCN1CCC[C@H]2CCCC[C@H]21.
What is the InChIKey of 4-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-(methylamino)butan-1-ol?
The InChIKey is IELWJRWWGQOBKT-WYAMFQBQSA-N. The full InChI is InChI=1S/C14H28N2O/c1-15-13(11-17)8-10-16-9-4-6-12-5-2-3-7-14(12)16/h12-15,17H,2-11H2,1H3/t12-,13?,14-/m1/s1.
What are the key properties of 4-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-(methylamino)butan-1-ol?
4-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-(methylamino)butan-1-ol has a molecular weight of 240.39 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-(methylamino)butan-1-ol is sourced from PubChem (CID 102728915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).