1-heptyl-3,4-dihydro-2H-quinolin-7-amine

C16H26N2 — CID 62265158

IUPAC1-heptyl-3,4-dihydro-2H-quinolin-7-amine
SMILESCCCCCCCN1CCCc2ccc(N)cc21
InChIInChI=1S/C16H26N2/c1-2-3-4-5-6-11-18-12-7-8-14-9-10-15(17)13-16(14)18/h9-10,13H,2-8,11-12,17H2,1H3
InChIKeySTPDVJHGRUXETD-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.99
Rot. Bonds6

About 1-heptyl-3,4-dihydro-2H-quinolin-7-amine

1-heptyl-3,4-dihydro-2H-quinolin-7-amine (PubChem CID 62265158) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 1-heptyl-3,4-dihydro-2H-quinolin-7-amine.

Molecular Properties

Compound Name1-heptyl-3,4-dihydro-2H-quinolin-7-amine
PubChem CID62265158
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name1-heptyl-3,4-dihydro-2H-quinolin-7-amine
SMILESCCCCCCCN1CCCc2ccc(N)cc21
InChIInChI=1S/C16H26N2/c1-2-3-4-5-6-11-18-12-7-8-14-9-10-15(17)13-16(14)18/h9-10,13H,2-8,11-12,17H2,1H3
InChIKeySTPDVJHGRUXETD-UHFFFAOYSA-N
XLogP3.99
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(7-amino-3,4-dihydro-2H-quinolin-1-yl)pentan-1-ol
CID 55055575
1-(2-propoxyethyl)-3,4-dihydro-2H-quinolin-7-amine
CID 89221880
1-heptyl-3,4-dihydro-2H-quinoline
CID 154324891
(1-heptyl-3,4-dihydro-2H-quinolin-6-yl)methanamine
CID 63527146
6-(6-amino-3,4-dihydro-2H-quinolin-1-yl)hexan-1-ol
CID 107704010
1-hexyl-3,4-dihydro-2H-quinolin-6-ol;hydroiodide
CID 13300508
4-octyl-2,3-dihydro-1,4-benzothiazin-6-amine
CID 63533513
2-(7-amino-3,4-dihydro-2H-quinolin-1-yl)-N,N-diethylacetamide
CID 62266731
1-decyl-3,4-dihydro-2H-quinolin-8-amine
CID 63462485
1-(1-pentyl-3,4-dihydro-2H-quinolin-6-yl)ethanamine
CID 102661907
1-[2-(piperidin-1-ylmethylamino)ethyl]-3,4-dihydro-2H-quinolin-7-amine
CID 134503074
1-(2-methylbutan-2-yl)-3,4-dihydro-2H-quinolin-7-amine
CID 170315346

Frequently Asked Questions

What is the IUPAC name of 1-heptyl-3,4-dihydro-2H-quinolin-7-amine?
The IUPAC name of 1-heptyl-3,4-dihydro-2H-quinolin-7-amine (CID 62265158) is 1-heptyl-3,4-dihydro-2H-quinolin-7-amine.
What is the SMILES notation for 1-heptyl-3,4-dihydro-2H-quinolin-7-amine?
The canonical SMILES for 1-heptyl-3,4-dihydro-2H-quinolin-7-amine is CCCCCCCN1CCCc2ccc(N)cc21.
What is the InChIKey of 1-heptyl-3,4-dihydro-2H-quinolin-7-amine?
The InChIKey is STPDVJHGRUXETD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-2-3-4-5-6-11-18-12-7-8-14-9-10-15(17)13-16(14)18/h9-10,13H,2-8,11-12,17H2,1H3.
What are the key properties of 1-heptyl-3,4-dihydro-2H-quinolin-7-amine?
1-heptyl-3,4-dihydro-2H-quinolin-7-amine has a molecular weight of 246.40 g/mol, XLogP of 3.99, 6 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-7-amine is sourced from PubChem (CID 62265158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).