2-(3,4-dihydro-2H-quinolin-1-yl)-2,5-dimethylhexan-1-amine

C17H28N2 — CID 43080726

IUPAC2-(3,4-dihydro-2H-quinolin-1-yl)-2,5-dimethylhexan-1-amine
SMILESCC(C)CCC(C)(CN)N1CCCc2ccccc21
InChIInChI=1S/C17H28N2/c1-14(2)10-11-17(3,13-18)19-12-6-8-15-7-4-5-9-16(15)19/h4-5,7,9,14H,6,8,10-13,18H2,1-3H3
InChIKeyTWVGCTWLKGNPBG-UHFFFAOYSA-N
MW260.42 g/mol
LogP3.59
Rot. Bonds5

About 2-(3,4-dihydro-2H-quinolin-1-yl)-2,5-dimethylhexan-1-amine

2-(3,4-dihydro-2H-quinolin-1-yl)-2,5-dimethylhexan-1-amine (PubChem CID 43080726) has the molecular formula C17H28N2 and a molecular weight of 260.42 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-quinolin-1-yl)-2,5-dimethylhexan-1-amine.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-quinolin-1-yl)-2,5-dimethylhexan-1-amine
PubChem CID43080726
Molecular FormulaC17H28N2
Molecular Weight260.42 g/mol
Exact Mass260.23
IUPAC Name2-(3,4-dihydro-2H-quinolin-1-yl)-2,5-dimethylhexan-1-amine
SMILESCC(C)CCC(C)(CN)N1CCCc2ccccc21
InChIInChI=1S/C17H28N2/c1-14(2)10-11-17(3,13-18)19-12-6-8-15-7-4-5-9-16(15)19/h4-5,7,9,14H,6,8,10-13,18H2,1-3H3
InChIKeyTWVGCTWLKGNPBG-UHFFFAOYSA-N
XLogP3.59
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.42
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3,4-dihydro-2H-quinolin-1-yl)pentan-1-amine
CID 62425766
ethane;1-(2-methylpropyl)-3,4-dihydro-2H-quinoline
CID 170597916
4-(3,4-dihydro-2H-quinolin-1-yl)-3,3-dimethylbutan-2-amine
CID 66454044
4-(3,4-dihydro-2H-quinolin-1-yl)-5-methoxypentan-1-amine
CID 103391625
1-(3-methylbutyl)-2,3-dihydroindole
CID 143815180
N-[2-(3,4-dihydro-2H-quinolin-1-yl)propyl]-3-methylbutan-1-amine
CID 62557981
5-(3,4-dihydro-2H-quinolin-1-yl)-3,5-dimethylhexan-3-ol
CID 139217240
3-(3,4-dihydro-2H-quinolin-1-yl)-2-methyl-2-phenylpropan-1-amine
CID 62263045
1-(11,12-dihydro-6H-benzo[c][1]benzazocin-5-yl)-2,2,5-trimethylhexan-1-one
CID 155694353
5-amino-1-(3,4-dihydro-2H-quinolin-1-yl)-4-methylpentan-1-one
CID 82683241
1-(3,4-dihydro-2H-quinolin-1-yl)-4-methoxybutan-2-amine
CID 62476969
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(3-methylbutoxy)phenoxy]ethanone
CID 4732912

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-quinolin-1-yl)-2,5-dimethylhexan-1-amine?
The IUPAC name of 2-(3,4-dihydro-2H-quinolin-1-yl)-2,5-dimethylhexan-1-amine (CID 43080726) is 2-(3,4-dihydro-2H-quinolin-1-yl)-2,5-dimethylhexan-1-amine.
What is the SMILES notation for 2-(3,4-dihydro-2H-quinolin-1-yl)-2,5-dimethylhexan-1-amine?
The canonical SMILES for 2-(3,4-dihydro-2H-quinolin-1-yl)-2,5-dimethylhexan-1-amine is CC(C)CCC(C)(CN)N1CCCc2ccccc21.
What is the InChIKey of 2-(3,4-dihydro-2H-quinolin-1-yl)-2,5-dimethylhexan-1-amine?
The InChIKey is TWVGCTWLKGNPBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-14(2)10-11-17(3,13-18)19-12-6-8-15-7-4-5-9-16(15)19/h4-5,7,9,14H,6,8,10-13,18H2,1-3H3.
What are the key properties of 2-(3,4-dihydro-2H-quinolin-1-yl)-2,5-dimethylhexan-1-amine?
2-(3,4-dihydro-2H-quinolin-1-yl)-2,5-dimethylhexan-1-amine has a molecular weight of 260.42 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-quinolin-1-yl)-2,5-dimethylhexan-1-amine is sourced from PubChem (CID 43080726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).