N-methyl-3-quinolin-8-ylpropan-1-amine

C13H16N2 — CID 70598005

IUPACN-methyl-3-quinolin-8-ylpropan-1-amine
SMILESCNCCCc1cccc2cccnc12
InChIInChI=1S/C13H16N2/c1-14-9-3-7-11-5-2-6-12-8-4-10-15-13(11)12/h2,4-6,8,10,14H,3,7,9H2,1H3
InChIKeyBKIRALANTKQNCC-UHFFFAOYSA-N
MW200.29 g/mol
LogP2.39
Rot. Bonds4

About N-methyl-3-quinolin-8-ylpropan-1-amine

N-methyl-3-quinolin-8-ylpropan-1-amine (PubChem CID 70598005) has the molecular formula C13H16N2 and a molecular weight of 200.29 g/mol. Its IUPAC name is N-methyl-3-quinolin-8-ylpropan-1-amine.

Molecular Properties

Compound NameN-methyl-3-quinolin-8-ylpropan-1-amine
PubChem CID70598005
Molecular FormulaC13H16N2
Molecular Weight200.29 g/mol
Exact Mass200.13
IUPAC NameN-methyl-3-quinolin-8-ylpropan-1-amine
SMILESCNCCCc1cccc2cccnc12
InChIInChI=1S/C13H16N2/c1-14-9-3-7-11-5-2-6-12-8-4-10-15-13(11)12/h2,4-6,8,10,14H,3,7,9H2,1H3
InChIKeyBKIRALANTKQNCC-UHFFFAOYSA-N
XLogP2.39
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.29
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-2-quinolin-8-ylethanamine
CID 62549686
6-quinolin-8-ylhexan-3-one
CID 132571149
(E)-N-(2-quinolin-8-ylethyl)but-2-enamide
CID 112723855
N-methyl-N'-propyl-N'-(quinolin-8-ylmethyl)ethane-1,2-diamine
CID 54984195
bis(N-methyl-1-quinolin-8-ylmethanamine);oxalic acid
CID 121229149
N-(quinolin-8-ylmethyl)butan-1-amine
CID 28613793
N-(2-quinolin-8-ylethyl)hexan-2-amine
CID 81298453
3-ethylsulfonyl-N-(2-quinolin-8-ylethyl)propan-1-amine
CID 81426941
1-(2-quinolin-8-ylethylamino)propan-2-ol
CID 81428765
methyl N-(2-quinolin-8-ylethyl)carbamate
CID 115577084
2-methyl-1-(2-quinolin-8-ylethyl)guanidine
CID 78989907
(2R)-2-amino-N-(2-quinolin-8-ylethyl)propanamide
CID 78983595

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-quinolin-8-ylpropan-1-amine?
The IUPAC name of N-methyl-3-quinolin-8-ylpropan-1-amine (CID 70598005) is N-methyl-3-quinolin-8-ylpropan-1-amine.
What is the SMILES notation for N-methyl-3-quinolin-8-ylpropan-1-amine?
The canonical SMILES for N-methyl-3-quinolin-8-ylpropan-1-amine is CNCCCc1cccc2cccnc12.
What is the InChIKey of N-methyl-3-quinolin-8-ylpropan-1-amine?
The InChIKey is BKIRALANTKQNCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2/c1-14-9-3-7-11-5-2-6-12-8-4-10-15-13(11)12/h2,4-6,8,10,14H,3,7,9H2,1H3.
What are the key properties of N-methyl-3-quinolin-8-ylpropan-1-amine?
N-methyl-3-quinolin-8-ylpropan-1-amine has a molecular weight of 200.29 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-quinolin-8-ylpropan-1-amine is sourced from PubChem (CID 70598005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).