N-(2-methylprop-2-enyl)-1-quinolin-8-ylethane-1,2-diamine

C15H19N3 — CID 114616018

IUPACN-(2-methylprop-2-enyl)-1-quinolin-8-ylethane-1,2-diamine
SMILESC=C(C)CNC(CN)c1cccc2cccnc12
InChIInChI=1S/C15H19N3/c1-11(2)10-18-14(9-16)13-7-3-5-12-6-4-8-17-15(12)13/h3-8,14,18H,1,9-10,16H2,2H3
InChIKeyHMHGNYCYEBKKOG-UHFFFAOYSA-N
MW241.34 g/mol
LogP2.40
Rot. Bonds5

About N-(2-methylprop-2-enyl)-1-quinolin-8-ylethane-1,2-diamine

N-(2-methylprop-2-enyl)-1-quinolin-8-ylethane-1,2-diamine (PubChem CID 114616018) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is N-(2-methylprop-2-enyl)-1-quinolin-8-ylethane-1,2-diamine.

Molecular Properties

Compound NameN-(2-methylprop-2-enyl)-1-quinolin-8-ylethane-1,2-diamine
PubChem CID114616018
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC NameN-(2-methylprop-2-enyl)-1-quinolin-8-ylethane-1,2-diamine
SMILESC=C(C)CNC(CN)c1cccc2cccnc12
InChIInChI=1S/C15H19N3/c1-11(2)10-18-14(9-16)13-7-3-5-12-6-4-8-17-15(12)13/h3-8,14,18H,1,9-10,16H2,2H3
InChIKeyHMHGNYCYEBKKOG-UHFFFAOYSA-N
XLogP2.40
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-3-methyl-1-quinolin-8-ylbut-3-en-1-amine
CID 105163061
5-[(2-amino-1-quinolin-8-ylethyl)amino]pentan-1-ol
CID 107316843
N-(4-bromophenyl)-1-quinolin-8-ylethane-1,2-diamine
CID 65384916
N-(4-methylpiperazin-1-yl)-1-quinolin-8-ylethane-1,2-diamine
CID 83010794
1-quinolin-8-ylethane-1,2-diamine
CID 63968089
N-(2-chlorophenyl)-1-quinolin-8-ylethane-1,2-diamine
CID 65378756
3-methyl-2-quinolin-8-ylbutan-1-amine
CID 83886423
2-(propan-2-ylamino)-2-quinolin-8-ylethanol
CID 63968321
(3R)-3-acetamido-3-quinolin-8-ylpropanoic acid
CID 63968660
N-(3-methylcyclopentyl)-1-quinolin-8-ylethane-1,2-diamine
CID 114544546
ethyl 3-(ethylamino)-3-quinolin-8-ylpropanoate
CID 65234270
methyl 4-amino-3-quinolin-8-ylbutanoate
CID 66098918

Frequently Asked Questions

What is the IUPAC name of N-(2-methylprop-2-enyl)-1-quinolin-8-ylethane-1,2-diamine?
The IUPAC name of N-(2-methylprop-2-enyl)-1-quinolin-8-ylethane-1,2-diamine (CID 114616018) is N-(2-methylprop-2-enyl)-1-quinolin-8-ylethane-1,2-diamine.
What is the SMILES notation for N-(2-methylprop-2-enyl)-1-quinolin-8-ylethane-1,2-diamine?
The canonical SMILES for N-(2-methylprop-2-enyl)-1-quinolin-8-ylethane-1,2-diamine is C=C(C)CNC(CN)c1cccc2cccnc12.
What is the InChIKey of N-(2-methylprop-2-enyl)-1-quinolin-8-ylethane-1,2-diamine?
The InChIKey is HMHGNYCYEBKKOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-11(2)10-18-14(9-16)13-7-3-5-12-6-4-8-17-15(12)13/h3-8,14,18H,1,9-10,16H2,2H3.
What are the key properties of N-(2-methylprop-2-enyl)-1-quinolin-8-ylethane-1,2-diamine?
N-(2-methylprop-2-enyl)-1-quinolin-8-ylethane-1,2-diamine has a molecular weight of 241.34 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylprop-2-enyl)-1-quinolin-8-ylethane-1,2-diamine is sourced from PubChem (CID 114616018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).