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

C18H30N2 — CID 63527317

IUPAC(1-octyl-3,4-dihydro-2H-quinolin-2-yl)methanamine
SMILESCCCCCCCCN1c2ccccc2CCC1CN
InChIInChI=1S/C18H30N2/c1-2-3-4-5-6-9-14-20-17(15-19)13-12-16-10-7-8-11-18(16)20/h7-8,10-11,17H,2-6,9,12-15,19H2,1H3
InChIKeyCUZMQXOQBGUTDE-UHFFFAOYSA-N
MW274.45 g/mol
LogP4.13
Rot. Bonds8

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

(1-octyl-3,4-dihydro-2H-quinolin-2-yl)methanamine (PubChem CID 63527317) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is (1-octyl-3,4-dihydro-2H-quinolin-2-yl)methanamine.

Molecular Properties

Compound Name(1-octyl-3,4-dihydro-2H-quinolin-2-yl)methanamine
PubChem CID63527317
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Name(1-octyl-3,4-dihydro-2H-quinolin-2-yl)methanamine
SMILESCCCCCCCCN1c2ccccc2CCC1CN
InChIInChI=1S/C18H30N2/c1-2-3-4-5-6-9-14-20-17(15-19)13-12-16-10-7-8-11-18(16)20/h7-8,10-11,17H,2-6,9,12-15,19H2,1H3
InChIKeyCUZMQXOQBGUTDE-UHFFFAOYSA-N
XLogP4.13
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 54.13
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

[1-(3-phenylpropyl)-3,4-dihydro-2H-quinolin-2-yl]methanamine
CID 63218760
[1-(3-methylsulfonylpropyl)-3,4-dihydro-2H-quinolin-2-yl]methanamine
CID 63218851
[1-(3,3-dimethylbutyl)-3,4-dihydro-2H-quinolin-2-yl]methanamine
CID 63222371
1-butyl-3,4-dihydro-2H-quinolin-2-amine
CID 146573468
[1-[2-(3-methoxypropoxy)ethyl]-3,4-dihydro-2H-quinolin-2-yl]methanamine
CID 103180234
[1-(2-pyrrolidin-1-ylethyl)-3,4-dihydro-2H-quinolin-2-yl]methanamine
CID 107912592
3-[2-(aminomethyl)-3,4-dihydro-2H-quinolin-1-yl]-2-methylpropanamide
CID 55162347
methyl 1-heptyl-3,4-dihydro-2H-quinoline-2-carboxylate
CID 142683779
3-[2-(aminomethyl)-3,4-dihydro-2H-quinolin-1-yl]-N-cyclopropylpropanamide
CID 63218976
2-cyclopropyl-1-hexyl-2,3-dihydroindole
CID 11096828
2-[2-(aminomethyl)-3,4-dihydro-2H-quinolin-1-yl]-1-piperidin-1-ylethanone
CID 63219146
2-[2-(aminomethyl)-3,4-dihydro-2H-quinolin-1-yl]-N-(3-methylbutyl)acetamide
CID 63219148

Frequently Asked Questions

What is the IUPAC name of (1-octyl-3,4-dihydro-2H-quinolin-2-yl)methanamine?
The IUPAC name of (1-octyl-3,4-dihydro-2H-quinolin-2-yl)methanamine (CID 63527317) is (1-octyl-3,4-dihydro-2H-quinolin-2-yl)methanamine.
What is the SMILES notation for (1-octyl-3,4-dihydro-2H-quinolin-2-yl)methanamine?
The canonical SMILES for (1-octyl-3,4-dihydro-2H-quinolin-2-yl)methanamine is CCCCCCCCN1c2ccccc2CCC1CN.
What is the InChIKey of (1-octyl-3,4-dihydro-2H-quinolin-2-yl)methanamine?
The InChIKey is CUZMQXOQBGUTDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-2-3-4-5-6-9-14-20-17(15-19)13-12-16-10-7-8-11-18(16)20/h7-8,10-11,17H,2-6,9,12-15,19H2,1H3.
What are the key properties of (1-octyl-3,4-dihydro-2H-quinolin-2-yl)methanamine?
(1-octyl-3,4-dihydro-2H-quinolin-2-yl)methanamine has a molecular weight of 274.45 g/mol, XLogP of 4.13, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-octyl-3,4-dihydro-2H-quinolin-2-yl)methanamine is sourced from PubChem (CID 63527317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).