3-methyl-4-(5,6,7,8-tetrahydroquinolin-8-ylamino)butan-1-ol

C14H22N2O — CID 79080089

IUPAC3-methyl-4-(5,6,7,8-tetrahydroquinolin-8-ylamino)butan-1-ol
SMILESCC(CCO)CNC1CCCc2cccnc21
InChIInChI=1S/C14H22N2O/c1-11(7-9-17)10-16-13-6-2-4-12-5-3-8-15-14(12)13/h3,5,8,11,13,16-17H,2,4,6-7,9-10H2,1H3
InChIKeyCDRXEUXZDHBEQU-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.07
Rot. Bonds5

About 3-methyl-4-(5,6,7,8-tetrahydroquinolin-8-ylamino)butan-1-ol

3-methyl-4-(5,6,7,8-tetrahydroquinolin-8-ylamino)butan-1-ol (PubChem CID 79080089) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 3-methyl-4-(5,6,7,8-tetrahydroquinolin-8-ylamino)butan-1-ol.

Molecular Properties

Compound Name3-methyl-4-(5,6,7,8-tetrahydroquinolin-8-ylamino)butan-1-ol
PubChem CID79080089
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name3-methyl-4-(5,6,7,8-tetrahydroquinolin-8-ylamino)butan-1-ol
SMILESCC(CCO)CNC1CCCc2cccnc21
InChIInChI=1S/C14H22N2O/c1-11(7-9-17)10-16-13-6-2-4-12-5-3-8-15-14(12)13/h3,5,8,11,13,16-17H,2,4,6-7,9-10H2,1H3
InChIKeyCDRXEUXZDHBEQU-UHFFFAOYSA-N
XLogP2.07
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-methyl-4-(5,6,7,8-tetrahydroquinolin-8-ylamino)butan-1-ol with MolForge

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Related Compounds

N-(2-methoxypropyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 102695976
1-cyclopropyl-2-(5,6,7,8-tetrahydroquinolin-8-ylamino)ethanol
CID 79079971
N-(2,2-dimethoxyethyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 79080071
3-methyl-4-(1,2,3,4-tetrahydronaphthalen-1-ylamino)butan-1-ol
CID 66091347
N-(2-methylprop-2-enyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 114615760
2-methyl-1-(5,6,7,8-tetrahydroquinolin-8-ylamino)propan-2-ol
CID 79078513
N-prop-2-ynyl-5,6,7,8-tetrahydroquinolin-8-amine
CID 79079711
N-(2-methyl-3-pyrrolidin-1-ylpropyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
CID 102773752
5-(5,6,7,8-tetrahydroquinolin-8-ylamino)pentan-1-ol
CID 107316747
3,3-dimethyl-4-(5,6,7,8-tetrahydroquinolin-8-ylamino)butan-1-ol
CID 114149434
3-ethyl-2-N,2-N-dimethyl-1-N-(5,6,7,8-tetrahydroquinolin-8-yl)pentane-1,2-diamine
CID 79079669
N-[[4-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]phenyl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 71026047

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(5,6,7,8-tetrahydroquinolin-8-ylamino)butan-1-ol?
The IUPAC name of 3-methyl-4-(5,6,7,8-tetrahydroquinolin-8-ylamino)butan-1-ol (CID 79080089) is 3-methyl-4-(5,6,7,8-tetrahydroquinolin-8-ylamino)butan-1-ol.
What is the SMILES notation for 3-methyl-4-(5,6,7,8-tetrahydroquinolin-8-ylamino)butan-1-ol?
The canonical SMILES for 3-methyl-4-(5,6,7,8-tetrahydroquinolin-8-ylamino)butan-1-ol is CC(CCO)CNC1CCCc2cccnc21.
What is the InChIKey of 3-methyl-4-(5,6,7,8-tetrahydroquinolin-8-ylamino)butan-1-ol?
The InChIKey is CDRXEUXZDHBEQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-11(7-9-17)10-16-13-6-2-4-12-5-3-8-15-14(12)13/h3,5,8,11,13,16-17H,2,4,6-7,9-10H2,1H3.
What are the key properties of 3-methyl-4-(5,6,7,8-tetrahydroquinolin-8-ylamino)butan-1-ol?
3-methyl-4-(5,6,7,8-tetrahydroquinolin-8-ylamino)butan-1-ol has a molecular weight of 234.34 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(5,6,7,8-tetrahydroquinolin-8-ylamino)butan-1-ol is sourced from PubChem (CID 79080089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).