4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1-amino-2-methylpentan-2-ol

C15H30N2O — CID 64818883

IUPAC4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1-amino-2-methylpentan-2-ol
SMILESCC(CC(C)(O)CN)N1CCCC2CCCCC21
InChIInChI=1S/C15H30N2O/c1-12(10-15(2,18)11-16)17-9-5-7-13-6-3-4-8-14(13)17/h12-14,18H,3-11,16H2,1-2H3
InChIKeyQFBIMSBLFOXPAT-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.13
Rot. Bonds4

About 4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1-amino-2-methylpentan-2-ol

4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1-amino-2-methylpentan-2-ol (PubChem CID 64818883) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1-amino-2-methylpentan-2-ol.

Molecular Properties

Compound Name4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1-amino-2-methylpentan-2-ol
PubChem CID64818883
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1-amino-2-methylpentan-2-ol
SMILESCC(CC(C)(O)CN)N1CCCC2CCCCC21
InChIInChI=1S/C15H30N2O/c1-12(10-15(2,18)11-16)17-9-5-7-13-6-3-4-8-14(13)17/h12-14,18H,3-11,16H2,1-2H3
InChIKeyQFBIMSBLFOXPAT-UHFFFAOYSA-N
XLogP2.13
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1-amino-2-methylpentan-2-ol with MolForge

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Launch Full Analysis

Related Compounds

1-amino-4-(2-ethylpiperidin-1-yl)-2-methylpentan-2-ol
CID 64820664
4-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-methyl-2-(methylamino)pentanamide
CID 102727993
1-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-3-amino-2-methylpropan-2-ol
CID 102728937
4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-methyl-2-(methylamino)pentan-1-ol
CID 65322079
4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-(cyclopropylamino)-2-methylpentanamide
CID 65324875
1-amino-2-methyl-4-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pentan-2-ol
CID 79937647
methyl 4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-methyl-2-(methylamino)pentanoate
CID 65324725
1-butan-2-yl-2-cyclopropylpyrrolidine
CID 131083099
4-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-tert-butylpentan-1-amine
CID 102728546
4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)pentan-1-amine
CID 82751497
3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-N-tert-butylbutan-1-amine
CID 65322192
(3aR,7aR)-1-butan-2-yl-2,3,3a,4,5,6,7,7a-octahydroindole
CID 130978480

Frequently Asked Questions

What is the IUPAC name of 4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1-amino-2-methylpentan-2-ol?
The IUPAC name of 4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1-amino-2-methylpentan-2-ol (CID 64818883) is 4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1-amino-2-methylpentan-2-ol.
What is the SMILES notation for 4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1-amino-2-methylpentan-2-ol?
The canonical SMILES for 4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1-amino-2-methylpentan-2-ol is CC(CC(C)(O)CN)N1CCCC2CCCCC21.
What is the InChIKey of 4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1-amino-2-methylpentan-2-ol?
The InChIKey is QFBIMSBLFOXPAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-12(10-15(2,18)11-16)17-9-5-7-13-6-3-4-8-14(13)17/h12-14,18H,3-11,16H2,1-2H3.
What are the key properties of 4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1-amino-2-methylpentan-2-ol?
4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1-amino-2-methylpentan-2-ol has a molecular weight of 254.42 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1-amino-2-methylpentan-2-ol is sourced from PubChem (CID 64818883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).