3-[(1,2,3,4-tetrahydroquinolin-8-ylmethylamino)methyl]cyclobutan-1-ol

C15H22N2O — CID 80649380

IUPAC3-[(1,2,3,4-tetrahydroquinolin-8-ylmethylamino)methyl]cyclobutan-1-ol
SMILESOC1CC(CNCc2cccc3c2NCCC3)C1
InChIInChI=1S/C15H22N2O/c18-14-7-11(8-14)9-16-10-13-4-1-3-12-5-2-6-17-15(12)13/h1,3-4,11,14,16-18H,2,5-10H2
InChIKeyPUDQRXGZDJZIDZ-UHFFFAOYSA-N
MW246.35 g/mol
LogP1.91
Rot. Bonds4

About 3-[(1,2,3,4-tetrahydroquinolin-8-ylmethylamino)methyl]cyclobutan-1-ol

3-[(1,2,3,4-tetrahydroquinolin-8-ylmethylamino)methyl]cyclobutan-1-ol (PubChem CID 80649380) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 3-[(1,2,3,4-tetrahydroquinolin-8-ylmethylamino)methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[(1,2,3,4-tetrahydroquinolin-8-ylmethylamino)methyl]cyclobutan-1-ol
PubChem CID80649380
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name3-[(1,2,3,4-tetrahydroquinolin-8-ylmethylamino)methyl]cyclobutan-1-ol
SMILESOC1CC(CNCc2cccc3c2NCCC3)C1
InChIInChI=1S/C15H22N2O/c18-14-7-11(8-14)9-16-10-13-4-1-3-12-5-2-6-17-15(12)13/h1,3-4,11,14,16-18H,2,5-10H2
InChIKeyPUDQRXGZDJZIDZ-UHFFFAOYSA-N
XLogP1.91
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-methylpyrrolidin-3-yl)-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)methanamine
CID 80648401
2-cyclobutyl-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)ethanamine
CID 113478618
1-(2-bicyclo[2.2.1]heptanyl)-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)methanamine
CID 80648906
1-(1-methylpyrrolidin-2-yl)-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)methanamine
CID 106024044
3-(1,2,3,4-tetrahydroquinolin-8-ylmethylamino)propanamide
CID 80648694
4-(1,2,3,4-tetrahydroquinolin-8-ylmethylamino)butan-2-ol
CID 80650133
8-(cyclopropylmethyl)-1,2,3,4-tetrahydroquinoline
CID 106779417
N'-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)butane-1,4-diamine
CID 80649186
N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)but-3-yn-1-amine
CID 80649535
2,3-dimethyl-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)butan-1-amine
CID 80649952
4-ethyl-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)cyclohexan-1-amine
CID 80648414
N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)propan-2-amine
CID 80648504

Frequently Asked Questions

What is the IUPAC name of 3-[(1,2,3,4-tetrahydroquinolin-8-ylmethylamino)methyl]cyclobutan-1-ol?
The IUPAC name of 3-[(1,2,3,4-tetrahydroquinolin-8-ylmethylamino)methyl]cyclobutan-1-ol (CID 80649380) is 3-[(1,2,3,4-tetrahydroquinolin-8-ylmethylamino)methyl]cyclobutan-1-ol.
What is the SMILES notation for 3-[(1,2,3,4-tetrahydroquinolin-8-ylmethylamino)methyl]cyclobutan-1-ol?
The canonical SMILES for 3-[(1,2,3,4-tetrahydroquinolin-8-ylmethylamino)methyl]cyclobutan-1-ol is OC1CC(CNCc2cccc3c2NCCC3)C1.
What is the InChIKey of 3-[(1,2,3,4-tetrahydroquinolin-8-ylmethylamino)methyl]cyclobutan-1-ol?
The InChIKey is PUDQRXGZDJZIDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c18-14-7-11(8-14)9-16-10-13-4-1-3-12-5-2-6-17-15(12)13/h1,3-4,11,14,16-18H,2,5-10H2.
What are the key properties of 3-[(1,2,3,4-tetrahydroquinolin-8-ylmethylamino)methyl]cyclobutan-1-ol?
3-[(1,2,3,4-tetrahydroquinolin-8-ylmethylamino)methyl]cyclobutan-1-ol has a molecular weight of 246.35 g/mol, XLogP of 1.91, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1,2,3,4-tetrahydroquinolin-8-ylmethylamino)methyl]cyclobutan-1-ol is sourced from PubChem (CID 80649380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).