methyl-[(1-propyl-3,4-dihydro-2H-quinolin-6-yl)methyl]azanium

C14H23N2+ — CID 6967900

IUPACmethyl-[(1-propyl-3,4-dihydro-2H-quinolin-6-yl)methyl]azanium
SMILESCCCN1CCCc2cc(C[NH2+]C)ccc21
InChIInChI=1S/C14H22N2/c1-3-8-16-9-4-5-13-10-12(11-15-2)6-7-14(13)16/h6-7,10,15H,3-5,8-9,11H2,1-2H3/p+1
InChIKeyGSNMWFIWSGPSCG-UHFFFAOYSA-O
MW219.35 g/mol
LogP1.54
Rot. Bonds4

About methyl-[(1-propyl-3,4-dihydro-2H-quinolin-6-yl)methyl]azanium

methyl-[(1-propyl-3,4-dihydro-2H-quinolin-6-yl)methyl]azanium (PubChem CID 6967900) has the molecular formula C14H23N2+ and a molecular weight of 219.35 g/mol. Its IUPAC name is methyl-[(1-propyl-3,4-dihydro-2H-quinolin-6-yl)methyl]azanium.

Molecular Properties

Compound Namemethyl-[(1-propyl-3,4-dihydro-2H-quinolin-6-yl)methyl]azanium
PubChem CID6967900
Molecular FormulaC14H23N2+
Molecular Weight219.35 g/mol
Exact Mass219.19
IUPAC Namemethyl-[(1-propyl-3,4-dihydro-2H-quinolin-6-yl)methyl]azanium
SMILESCCCN1CCCc2cc(C[NH2+]C)ccc21
InChIInChI=1S/C14H22N2/c1-3-8-16-9-4-5-13-10-12(11-15-2)6-7-14(13)16/h6-7,10,15H,3-5,8-9,11H2,1-2H3/p+1
InChIKeyGSNMWFIWSGPSCG-UHFFFAOYSA-O
XLogP1.54
TPSA19.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

(1-heptyl-3,4-dihydro-2H-quinolin-6-yl)methanamine
CID 63527146
3-(1-butyl-3,4-dihydro-2H-quinolin-6-yl)propan-1-amine
CID 170867536
3,4-dimethyl-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]benzamide
CID 16837172
N'-[(4-methylphenyl)methyl]-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]oxamide
CID 16837402
2-chloro-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]benzamide
CID 16837170
1-hexyl-3,4-dihydro-2H-quinolin-6-ol;hydroiodide
CID 13300508
N'-[[(2S)-oxolan-2-yl]methyl]-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]oxamide
CID 42065366
7-(2-piperazin-1-ylethyl)-1-propyl-3,4-dihydro-2H-quinoline
CID 82263573
1-heptyl-3,4-dihydro-2H-quinoline
CID 154324891
1-benzhydryl-3-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]urea
CID 30379546
1-(1-pentyl-3,4-dihydro-2H-quinolin-6-yl)ethanamine
CID 102661907
6-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)hexan-3-amine
CID 106799282

Frequently Asked Questions

What is the IUPAC name of methyl-[(1-propyl-3,4-dihydro-2H-quinolin-6-yl)methyl]azanium?
The IUPAC name of methyl-[(1-propyl-3,4-dihydro-2H-quinolin-6-yl)methyl]azanium (CID 6967900) is methyl-[(1-propyl-3,4-dihydro-2H-quinolin-6-yl)methyl]azanium.
What is the SMILES notation for methyl-[(1-propyl-3,4-dihydro-2H-quinolin-6-yl)methyl]azanium?
The canonical SMILES for methyl-[(1-propyl-3,4-dihydro-2H-quinolin-6-yl)methyl]azanium is CCCN1CCCc2cc(C[NH2+]C)ccc21.
What is the InChIKey of methyl-[(1-propyl-3,4-dihydro-2H-quinolin-6-yl)methyl]azanium?
The InChIKey is GSNMWFIWSGPSCG-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H22N2/c1-3-8-16-9-4-5-13-10-12(11-15-2)6-7-14(13)16/h6-7,10,15H,3-5,8-9,11H2,1-2H3/p+1.
What are the key properties of methyl-[(1-propyl-3,4-dihydro-2H-quinolin-6-yl)methyl]azanium?
methyl-[(1-propyl-3,4-dihydro-2H-quinolin-6-yl)methyl]azanium has a molecular weight of 219.35 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[(1-propyl-3,4-dihydro-2H-quinolin-6-yl)methyl]azanium is sourced from PubChem (CID 6967900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).