N'-(5,6,7,8-tetrahydroquinolin-8-yl)hexane-1,6-diamine

C15H25N3 — CID 142667915

IUPACN'-(5,6,7,8-tetrahydroquinolin-8-yl)hexane-1,6-diamine
SMILESNCCCCCCNC1CCCc2cccnc21
InChIInChI=1S/C15H25N3/c16-10-3-1-2-4-11-17-14-9-5-7-13-8-6-12-18-15(13)14/h6,8,12,14,17H,1-5,7,9-11,16H2
InChIKeyKBVJBIGXLCHNJP-UHFFFAOYSA-N
MW247.39 g/mol
LogP2.57
Rot. Bonds7

About N'-(5,6,7,8-tetrahydroquinolin-8-yl)hexane-1,6-diamine

N'-(5,6,7,8-tetrahydroquinolin-8-yl)hexane-1,6-diamine (PubChem CID 142667915) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is N'-(5,6,7,8-tetrahydroquinolin-8-yl)hexane-1,6-diamine.

Molecular Properties

Compound NameN'-(5,6,7,8-tetrahydroquinolin-8-yl)hexane-1,6-diamine
PubChem CID142667915
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC NameN'-(5,6,7,8-tetrahydroquinolin-8-yl)hexane-1,6-diamine
SMILESNCCCCCCNC1CCCc2cccnc21
InChIInChI=1S/C15H25N3/c16-10-3-1-2-4-11-17-14-9-5-7-13-8-6-12-18-15(13)14/h6,8,12,14,17H,1-5,7,9-11,16H2
InChIKeyKBVJBIGXLCHNJP-UHFFFAOYSA-N
XLogP2.57
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(5,6,7,8-tetrahydroquinolin-8-ylamino)pentan-1-ol
CID 107316747
N-hex-5-ynyl-5,6,7,8-tetrahydroquinolin-8-amine
CID 114158536
N-(3-pyrrolidin-1-ylpropyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 79080172
N-(3-ethoxypropyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 79080293
5-pyridin-2-yl-1-N-(5,6,7,8-tetrahydroquinolin-8-yl)pentane-1,4-diamine
CID 154305094
5-(5,6,7,8-tetrahydroquinolin-8-ylamino)pentyl N-tert-butylcarbamate
CID 91500558
N-[[4-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]phenyl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 71026047
N',N'-diethyl-N-[(8R)-5,6,7,8-tetrahydroquinolin-8-yl]ethane-1,2-diamine
CID 97132888
N-(cyclopentylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 79079348
N-prop-2-ynyl-5,6,7,8-tetrahydroquinolin-8-amine
CID 79079711
N-[3-(oxolan-2-ylmethoxy)propyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 79079663
N-[[(1R)-2,3-dihydro-1H-isoindol-1-yl]methyl]-N'-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]butane-1,4-diamine
CID 126741238

Frequently Asked Questions

What is the IUPAC name of N'-(5,6,7,8-tetrahydroquinolin-8-yl)hexane-1,6-diamine?
The IUPAC name of N'-(5,6,7,8-tetrahydroquinolin-8-yl)hexane-1,6-diamine (CID 142667915) is N'-(5,6,7,8-tetrahydroquinolin-8-yl)hexane-1,6-diamine.
What is the SMILES notation for N'-(5,6,7,8-tetrahydroquinolin-8-yl)hexane-1,6-diamine?
The canonical SMILES for N'-(5,6,7,8-tetrahydroquinolin-8-yl)hexane-1,6-diamine is NCCCCCCNC1CCCc2cccnc21.
What is the InChIKey of N'-(5,6,7,8-tetrahydroquinolin-8-yl)hexane-1,6-diamine?
The InChIKey is KBVJBIGXLCHNJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c16-10-3-1-2-4-11-17-14-9-5-7-13-8-6-12-18-15(13)14/h6,8,12,14,17H,1-5,7,9-11,16H2.
What are the key properties of N'-(5,6,7,8-tetrahydroquinolin-8-yl)hexane-1,6-diamine?
N'-(5,6,7,8-tetrahydroquinolin-8-yl)hexane-1,6-diamine has a molecular weight of 247.39 g/mol, XLogP of 2.57, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5,6,7,8-tetrahydroquinolin-8-yl)hexane-1,6-diamine is sourced from PubChem (CID 142667915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).