2-cyclobutyl-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)ethanamine

C16H24N2 — CID 113478618

IUPAC2-cyclobutyl-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)ethanamine
SMILESc1cc2c(c(CNCCC3CCC3)c1)NCCC2
InChIInChI=1S/C16H24N2/c1-4-13(5-1)9-11-17-12-15-7-2-6-14-8-3-10-18-16(14)15/h2,6-7,13,17-18H,1,3-5,8-12H2
InChIKeyMRQHYUYRQRPYKB-UHFFFAOYSA-N
MW244.38 g/mol
LogP3.32
Rot. Bonds5

About 2-cyclobutyl-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)ethanamine

2-cyclobutyl-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)ethanamine (PubChem CID 113478618) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 2-cyclobutyl-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-cyclobutyl-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)ethanamine
PubChem CID113478618
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name2-cyclobutyl-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)ethanamine
SMILESc1cc2c(c(CNCCC3CCC3)c1)NCCC2
InChIInChI=1S/C16H24N2/c1-4-13(5-1)9-11-17-12-15-7-2-6-14-8-3-10-18-16(14)15/h2,6-7,13,17-18H,1,3-5,8-12H2
InChIKeyMRQHYUYRQRPYKB-UHFFFAOYSA-N
XLogP3.32
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)but-3-yn-1-amine
CID 80649535
N'-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)butane-1,4-diamine
CID 80649186
3-[(1,2,3,4-tetrahydroquinolin-8-ylmethylamino)methyl]cyclobutan-1-ol
CID 80649380
8-(cyclopropylmethyl)-1,2,3,4-tetrahydroquinoline
CID 106779417
3-(1,2,3,4-tetrahydroquinolin-8-ylmethylamino)propanamide
CID 80648694
4-(1,2,3,4-tetrahydroquinolin-8-ylmethylamino)butan-2-ol
CID 80650133
N-(2,3-dihydro-1H-indol-7-ylmethyl)-2-(oxolan-2-yl)ethanamine
CID 80648716
2-(cyclopenten-1-yl)-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)ethanamine
CID 106169188
2-phenoxy-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)ethanamine
CID 80648722
2-(4-chlorophenyl)-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)ethanamine
CID 80648824
3-pyrrolidin-1-yl-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)propan-1-amine
CID 80648840
1-(1-methylpyrrolidin-3-yl)-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)methanamine
CID 80648401

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)ethanamine?
The IUPAC name of 2-cyclobutyl-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)ethanamine (CID 113478618) is 2-cyclobutyl-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)ethanamine.
What is the SMILES notation for 2-cyclobutyl-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)ethanamine?
The canonical SMILES for 2-cyclobutyl-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)ethanamine is c1cc2c(c(CNCCC3CCC3)c1)NCCC2.
What is the InChIKey of 2-cyclobutyl-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)ethanamine?
The InChIKey is MRQHYUYRQRPYKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-4-13(5-1)9-11-17-12-15-7-2-6-14-8-3-10-18-16(14)15/h2,6-7,13,17-18H,1,3-5,8-12H2.
What are the key properties of 2-cyclobutyl-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)ethanamine?
2-cyclobutyl-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)ethanamine has a molecular weight of 244.38 g/mol, XLogP of 3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)ethanamine is sourced from PubChem (CID 113478618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).