(1-heptyl-3,4-dihydro-2H-quinolin-6-yl)methanamine

C17H28N2 — CID 63527146

IUPAC(1-heptyl-3,4-dihydro-2H-quinolin-6-yl)methanamine
SMILESCCCCCCCN1CCCc2cc(CN)ccc21
InChIInChI=1S/C17H28N2/c1-2-3-4-5-6-11-19-12-7-8-16-13-15(14-18)9-10-17(16)19/h9-10,13H,2-8,11-12,14,18H2,1H3
InChIKeyYLCWPDGLTLYYCG-UHFFFAOYSA-N
MW260.42 g/mol
LogP3.87
Rot. Bonds7

About (1-heptyl-3,4-dihydro-2H-quinolin-6-yl)methanamine

(1-heptyl-3,4-dihydro-2H-quinolin-6-yl)methanamine (PubChem CID 63527146) has the molecular formula C17H28N2 and a molecular weight of 260.42 g/mol. Its IUPAC name is (1-heptyl-3,4-dihydro-2H-quinolin-6-yl)methanamine.

Molecular Properties

Compound Name(1-heptyl-3,4-dihydro-2H-quinolin-6-yl)methanamine
PubChem CID63527146
Molecular FormulaC17H28N2
Molecular Weight260.42 g/mol
Exact Mass260.23
IUPAC Name(1-heptyl-3,4-dihydro-2H-quinolin-6-yl)methanamine
SMILESCCCCCCCN1CCCc2cc(CN)ccc21
InChIInChI=1S/C17H28N2/c1-2-3-4-5-6-11-19-12-7-8-16-13-15(14-18)9-10-17(16)19/h9-10,13H,2-8,11-12,14,18H2,1H3
InChIKeyYLCWPDGLTLYYCG-UHFFFAOYSA-N
XLogP3.87
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.42
LogP ≤ 53.87
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

3-(1-butyl-3,4-dihydro-2H-quinolin-6-yl)propan-1-amine
CID 170867536
1-hexyl-3,4-dihydro-2H-quinolin-6-ol;hydroiodide
CID 13300508
1-(1-pentyl-3,4-dihydro-2H-quinolin-6-yl)ethanamine
CID 102661907
1-heptyl-3,4-dihydro-2H-quinoline
CID 154324891
1-heptyl-3,4-dihydro-2H-quinolin-7-amine
CID 62265158
N-ethyl-1-(1-hexyl-3,4-dihydro-2H-quinolin-6-yl)ethanamine
CID 102662070
N-ethyl-1-(1-pentyl-3,4-dihydro-2H-quinolin-6-yl)ethanamine
CID 102662084
methyl-[(1-propyl-3,4-dihydro-2H-quinolin-6-yl)methyl]azanium
CID 6967900
2-[6-(aminomethyl)-3,4-dihydro-2H-quinolin-1-yl]-1-pyrrolidin-1-ylethanone
CID 63095254
6-(6-amino-3,4-dihydro-2H-quinolin-1-yl)hexan-1-ol
CID 107704010
6-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)hexan-3-amine
CID 106799282
8-(3,4-dihydro-2H-quinolin-1-yl)octan-1-amine
CID 13472131

Frequently Asked Questions

What is the IUPAC name of (1-heptyl-3,4-dihydro-2H-quinolin-6-yl)methanamine?
The IUPAC name of (1-heptyl-3,4-dihydro-2H-quinolin-6-yl)methanamine (CID 63527146) is (1-heptyl-3,4-dihydro-2H-quinolin-6-yl)methanamine.
What is the SMILES notation for (1-heptyl-3,4-dihydro-2H-quinolin-6-yl)methanamine?
The canonical SMILES for (1-heptyl-3,4-dihydro-2H-quinolin-6-yl)methanamine is CCCCCCCN1CCCc2cc(CN)ccc21.
What is the InChIKey of (1-heptyl-3,4-dihydro-2H-quinolin-6-yl)methanamine?
The InChIKey is YLCWPDGLTLYYCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-2-3-4-5-6-11-19-12-7-8-16-13-15(14-18)9-10-17(16)19/h9-10,13H,2-8,11-12,14,18H2,1H3.
What are the key properties of (1-heptyl-3,4-dihydro-2H-quinolin-6-yl)methanamine?
(1-heptyl-3,4-dihydro-2H-quinolin-6-yl)methanamine has a molecular weight of 260.42 g/mol, XLogP of 3.87, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-heptyl-3,4-dihydro-2H-quinolin-6-yl)methanamine is sourced from PubChem (CID 63527146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).