4-hexan-2-yl-N-methyl-1,2,6,7-tetrahydroquinolin-2-amine

C16H26N2 — CID 70942676

IUPAC4-hexan-2-yl-N-methyl-1,2,6,7-tetrahydroquinolin-2-amine
SMILESCCCCC(C)C1=CC(NC)NC2=CCCC=C21
InChIInChI=1S/C16H26N2/c1-4-5-8-12(2)14-11-16(17-3)18-15-10-7-6-9-13(14)15/h9-12,16-18H,4-8H2,1-3H3
InChIKeyUJDGNTKFLXLYOJ-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.49
Rot. Bonds5

About 4-hexan-2-yl-N-methyl-1,2,6,7-tetrahydroquinolin-2-amine

4-hexan-2-yl-N-methyl-1,2,6,7-tetrahydroquinolin-2-amine (PubChem CID 70942676) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 4-hexan-2-yl-N-methyl-1,2,6,7-tetrahydroquinolin-2-amine.

Molecular Properties

Compound Name4-hexan-2-yl-N-methyl-1,2,6,7-tetrahydroquinolin-2-amine
PubChem CID70942676
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name4-hexan-2-yl-N-methyl-1,2,6,7-tetrahydroquinolin-2-amine
SMILESCCCCC(C)C1=CC(NC)NC2=CCCC=C21
InChIInChI=1S/C16H26N2/c1-4-5-8-12(2)14-11-16(17-3)18-15-10-7-6-9-13(14)15/h9-12,16-18H,4-8H2,1-3H3
InChIKeyUJDGNTKFLXLYOJ-UHFFFAOYSA-N
XLogP3.49
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Launch Full Analysis

Related Compounds

1-N'-[(E)-1-[4-ethyl-3-methyl-5-(7-methyloctan-3-yl)cyclohexa-1,3-dien-1-yl]-2-fluoroprop-1-enyl]ethane-1,1-diamine
CID 145195869
2-N-[1-[2-(2-ethylpentyl)-6-[(3E,5E)-5-fluoro-10-methylundeca-1,3,5-trien-3-yl]-1,2-dihydropyridin-3-yl]ethenyl]-2-N,1-dimethyl-2H-pyridine-2,6-diamine
CID 169947021
(13E)-13-ethylidene-N,11-dimethyl-5-methylidene-6-azatricyclo[7.3.1.02,7]trideca-2(7),3,10-trien-1-amine
CID 68224467
(13E)-N-butyl-13-ethylidene-11-methyl-5-methylidene-6-azatricyclo[7.3.1.02,7]trideca-2(7),3,10-trien-1-amine
CID 68224468
[3-(2-Ethylhexylamino)-5,5-dimethylcyclohex-2-en-1-ylidene]methanediamine
CID 68234493
2-(cyclohexylmethyl)-6-pyrrolidin-1-yl-1H-pyridine-2,4-diamine
CID 69718461
7-(Piperidin-3-ylmethyl)-1,2,3,4,8,8a-hexahydro-1,8-naphthyridine
CID 70126913
4,6-Dimethyl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1,3,9(16),12-tetraene
CID 70523282
4-Ethyl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1,3,9(16),12-tetraene
CID 70523576
4-Methyl-6-propan-2-yl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1,3,9(16),12-tetraene
CID 70523603
4-Methyl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1,3,9(16),12-tetraene
CID 70523638
4-Methyl-6-(3-methylbut-1-en-2-yl)-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1,3,9(16),12-tetraene
CID 70523664

Frequently Asked Questions

What is the IUPAC name of 4-hexan-2-yl-N-methyl-1,2,6,7-tetrahydroquinolin-2-amine?
The IUPAC name of 4-hexan-2-yl-N-methyl-1,2,6,7-tetrahydroquinolin-2-amine (CID 70942676) is 4-hexan-2-yl-N-methyl-1,2,6,7-tetrahydroquinolin-2-amine.
What is the SMILES notation for 4-hexan-2-yl-N-methyl-1,2,6,7-tetrahydroquinolin-2-amine?
The canonical SMILES for 4-hexan-2-yl-N-methyl-1,2,6,7-tetrahydroquinolin-2-amine is CCCCC(C)C1=CC(NC)NC2=CCCC=C21.
What is the InChIKey of 4-hexan-2-yl-N-methyl-1,2,6,7-tetrahydroquinolin-2-amine?
The InChIKey is UJDGNTKFLXLYOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-4-5-8-12(2)14-11-16(17-3)18-15-10-7-6-9-13(14)15/h9-12,16-18H,4-8H2,1-3H3.
What are the key properties of 4-hexan-2-yl-N-methyl-1,2,6,7-tetrahydroquinolin-2-amine?
4-hexan-2-yl-N-methyl-1,2,6,7-tetrahydroquinolin-2-amine has a molecular weight of 246.40 g/mol, XLogP of 3.49, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hexan-2-yl-N-methyl-1,2,6,7-tetrahydroquinolin-2-amine is sourced from PubChem (CID 70942676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).