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

C14H28N2O2 — CID 114356735

IUPAC2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-amino-4-methoxybutan-1-ol
SMILESCOCC(N)C(CO)N1CCCC2CCCCC21
InChIInChI=1S/C14H28N2O2/c1-18-10-12(15)14(9-17)16-8-4-6-11-5-2-3-7-13(11)16/h11-14,17H,2-10,15H2,1H3
InChIKeyYKSHQSDESFEWEW-UHFFFAOYSA-N
MW256.39 g/mol
LogP0.98
Rot. Bonds5

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

2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-amino-4-methoxybutan-1-ol (PubChem CID 114356735) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-amino-4-methoxybutan-1-ol.

Molecular Properties

Compound Name2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-amino-4-methoxybutan-1-ol
PubChem CID114356735
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-amino-4-methoxybutan-1-ol
SMILESCOCC(N)C(CO)N1CCCC2CCCCC21
InChIInChI=1S/C14H28N2O2/c1-18-10-12(15)14(9-17)16-8-4-6-11-5-2-3-7-13(11)16/h11-14,17H,2-10,15H2,1H3
InChIKeyYKSHQSDESFEWEW-UHFFFAOYSA-N
XLogP0.98
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Related Compounds

2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-3-methoxypropan-1-amine
CID 103227391
2-(2-cyclopentylpyrrolidin-1-yl)-3-methoxypropan-1-amine
CID 103226041
3-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]butan-2-amine
CID 102726031
2-amino-1-(2-cyclopentylpyrrolidin-1-yl)-3-methoxypropan-1-one
CID 81088765
3-amino-4-methoxy-2-(4-piperidin-1-ylpiperidin-1-yl)butan-1-ol
CID 114356774
methyl 2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-3-aminopropanoate
CID 102725778
3-amino-4-methoxy-2-[3-(methoxymethyl)pyrrolidin-1-yl]butan-1-ol
CID 114357377
3-amino-4-methoxy-2-(4-methylpiperazin-1-yl)butan-1-ol
CID 114356429
2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-3-methoxy-N-propylpropan-1-amine
CID 103227390
3-amino-4-methoxy-2-(3-propylpyrrolidin-1-yl)butan-1-ol
CID 114357613
N-[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-3-methoxypropyl]-2-methylpropan-2-amine
CID 103227144
ethyl 2-(2-cyclopentylpyrrolidin-1-yl)butanoate
CID 64662882

Frequently Asked Questions

What is the IUPAC name of 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-amino-4-methoxybutan-1-ol?
The IUPAC name of 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-amino-4-methoxybutan-1-ol (CID 114356735) is 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-amino-4-methoxybutan-1-ol.
What is the SMILES notation for 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-amino-4-methoxybutan-1-ol?
The canonical SMILES for 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-amino-4-methoxybutan-1-ol is COCC(N)C(CO)N1CCCC2CCCCC21.
What is the InChIKey of 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-amino-4-methoxybutan-1-ol?
The InChIKey is YKSHQSDESFEWEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-18-10-12(15)14(9-17)16-8-4-6-11-5-2-3-7-13(11)16/h11-14,17H,2-10,15H2,1H3.
What are the key properties of 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-amino-4-methoxybutan-1-ol?
2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-amino-4-methoxybutan-1-ol has a molecular weight of 256.39 g/mol, XLogP of 0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-amino-4-methoxybutan-1-ol is sourced from PubChem (CID 114356735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).