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

C15H24N2O — CID 114149434

IUPAC3,3-dimethyl-4-(5,6,7,8-tetrahydroquinolin-8-ylamino)butan-1-ol
SMILESCC(C)(CCO)CNC1CCCc2cccnc21
InChIInChI=1S/C15H24N2O/c1-15(2,8-10-18)11-17-13-7-3-5-12-6-4-9-16-14(12)13/h4,6,9,13,17-18H,3,5,7-8,10-11H2,1-2H3
InChIKeyLDPZPXLDFINNBF-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.46
Rot. Bonds5

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

3,3-dimethyl-4-(5,6,7,8-tetrahydroquinolin-8-ylamino)butan-1-ol (PubChem CID 114149434) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 3,3-dimethyl-4-(5,6,7,8-tetrahydroquinolin-8-ylamino)butan-1-ol.

Molecular Properties

Compound Name3,3-dimethyl-4-(5,6,7,8-tetrahydroquinolin-8-ylamino)butan-1-ol
PubChem CID114149434
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name3,3-dimethyl-4-(5,6,7,8-tetrahydroquinolin-8-ylamino)butan-1-ol
SMILESCC(C)(CCO)CNC1CCCc2cccnc21
InChIInChI=1S/C15H24N2O/c1-15(2,8-10-18)11-17-13-7-3-5-12-6-4-9-16-14(12)13/h4,6,9,13,17-18H,3,5,7-8,10-11H2,1-2H3
InChIKeyLDPZPXLDFINNBF-UHFFFAOYSA-N
XLogP2.46
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

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Related Compounds

2-methyl-1-(5,6,7,8-tetrahydroquinolin-8-ylamino)propan-2-ol
CID 79078513
N-(2-methylprop-2-enyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 114615760
N-prop-2-ynyl-5,6,7,8-tetrahydroquinolin-8-amine
CID 79079711
5-(5,6,7,8-tetrahydroquinolin-8-ylamino)pentan-1-ol
CID 107316747
3-methyl-4-(5,6,7,8-tetrahydroquinolin-8-ylamino)butan-1-ol
CID 79080089
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)-4-methoxy-2-methylbutan-2-ol
CID 106249742
N-[[4-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]phenyl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 71026047
(8S)-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine
CID 58985331
[1-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]cyclopropyl]methanol
CID 113313175
N-(cyclopentylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 79079348
tert-butyl N-[2-(5,6,7,8-tetrahydroquinolin-8-ylamino)ethyl]carbamate
CID 86621567
(8S)-N-benzyl-5,6,7,8-tetrahydroquinolin-8-amine
CID 11736560

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-4-(5,6,7,8-tetrahydroquinolin-8-ylamino)butan-1-ol?
The IUPAC name of 3,3-dimethyl-4-(5,6,7,8-tetrahydroquinolin-8-ylamino)butan-1-ol (CID 114149434) is 3,3-dimethyl-4-(5,6,7,8-tetrahydroquinolin-8-ylamino)butan-1-ol.
What is the SMILES notation for 3,3-dimethyl-4-(5,6,7,8-tetrahydroquinolin-8-ylamino)butan-1-ol?
The canonical SMILES for 3,3-dimethyl-4-(5,6,7,8-tetrahydroquinolin-8-ylamino)butan-1-ol is CC(C)(CCO)CNC1CCCc2cccnc21.
What is the InChIKey of 3,3-dimethyl-4-(5,6,7,8-tetrahydroquinolin-8-ylamino)butan-1-ol?
The InChIKey is LDPZPXLDFINNBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-15(2,8-10-18)11-17-13-7-3-5-12-6-4-9-16-14(12)13/h4,6,9,13,17-18H,3,5,7-8,10-11H2,1-2H3.
What are the key properties of 3,3-dimethyl-4-(5,6,7,8-tetrahydroquinolin-8-ylamino)butan-1-ol?
3,3-dimethyl-4-(5,6,7,8-tetrahydroquinolin-8-ylamino)butan-1-ol has a molecular weight of 248.37 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-4-(5,6,7,8-tetrahydroquinolin-8-ylamino)butan-1-ol is sourced from PubChem (CID 114149434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).