N-hex-5-ynyl-5,6,7,8-tetrahydroquinolin-8-amine

C15H20N2 — CID 114158536

IUPACN-hex-5-ynyl-5,6,7,8-tetrahydroquinolin-8-amine
SMILESC#CCCCCNC1CCCc2cccnc21
InChIInChI=1S/C15H20N2/c1-2-3-4-5-11-16-14-10-6-8-13-9-7-12-17-15(13)14/h1,7,9,12,14,16H,3-6,8,10-11H2
InChIKeyDKMMQFMRRDWMKN-UHFFFAOYSA-N
MW228.34 g/mol
LogP2.85
Rot. Bonds5

About N-hex-5-ynyl-5,6,7,8-tetrahydroquinolin-8-amine

N-hex-5-ynyl-5,6,7,8-tetrahydroquinolin-8-amine (PubChem CID 114158536) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is N-hex-5-ynyl-5,6,7,8-tetrahydroquinolin-8-amine.

Molecular Properties

Compound NameN-hex-5-ynyl-5,6,7,8-tetrahydroquinolin-8-amine
PubChem CID114158536
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC NameN-hex-5-ynyl-5,6,7,8-tetrahydroquinolin-8-amine
SMILESC#CCCCCNC1CCCc2cccnc21
InChIInChI=1S/C15H20N2/c1-2-3-4-5-11-16-14-10-6-8-13-9-7-12-17-15(13)14/h1,7,9,12,14,16H,3-6,8,10-11H2
InChIKeyDKMMQFMRRDWMKN-UHFFFAOYSA-N
XLogP2.85
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(5,6,7,8-tetrahydroquinolin-8-ylamino)pentan-1-ol
CID 107316747
N'-(5,6,7,8-tetrahydroquinolin-8-yl)hexane-1,6-diamine
CID 142667915
N-prop-2-ynyl-5,6,7,8-tetrahydroquinolin-8-amine
CID 79079711
N-but-3-ynyl-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
CID 102773823
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
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-[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
(8S)-N-benzyl-5,6,7,8-tetrahydroquinolin-8-amine
CID 11736560

Frequently Asked Questions

What is the IUPAC name of N-hex-5-ynyl-5,6,7,8-tetrahydroquinolin-8-amine?
The IUPAC name of N-hex-5-ynyl-5,6,7,8-tetrahydroquinolin-8-amine (CID 114158536) is N-hex-5-ynyl-5,6,7,8-tetrahydroquinolin-8-amine.
What is the SMILES notation for N-hex-5-ynyl-5,6,7,8-tetrahydroquinolin-8-amine?
The canonical SMILES for N-hex-5-ynyl-5,6,7,8-tetrahydroquinolin-8-amine is C#CCCCCNC1CCCc2cccnc21.
What is the InChIKey of N-hex-5-ynyl-5,6,7,8-tetrahydroquinolin-8-amine?
The InChIKey is DKMMQFMRRDWMKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2/c1-2-3-4-5-11-16-14-10-6-8-13-9-7-12-17-15(13)14/h1,7,9,12,14,16H,3-6,8,10-11H2.
What are the key properties of N-hex-5-ynyl-5,6,7,8-tetrahydroquinolin-8-amine?
N-hex-5-ynyl-5,6,7,8-tetrahydroquinolin-8-amine has a molecular weight of 228.34 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hex-5-ynyl-5,6,7,8-tetrahydroquinolin-8-amine is sourced from PubChem (CID 114158536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).