N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]prop-2-yn-1-amine

C14H18N2 — CID 62574477

IUPACN-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]prop-2-yn-1-amine
SMILESC#CCNCCN1CCCc2ccccc21
InChIInChI=1S/C14H18N2/c1-2-9-15-10-12-16-11-5-7-13-6-3-4-8-14(13)16/h1,3-4,6,8,15H,5,7,9-12H2
InChIKeyWXPXFJGJZFQLGS-UHFFFAOYSA-N
MW214.31 g/mol
LogP1.66
Rot. Bonds4

About N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]prop-2-yn-1-amine

N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]prop-2-yn-1-amine (PubChem CID 62574477) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]prop-2-yn-1-amine.

Molecular Properties

Compound NameN-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]prop-2-yn-1-amine
PubChem CID62574477
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC NameN-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]prop-2-yn-1-amine
SMILESC#CCNCCN1CCCc2ccccc21
InChIInChI=1S/C14H18N2/c1-2-9-15-10-12-16-11-5-7-13-6-3-4-8-14(13)16/h1,3-4,6,8,15H,5,7,9-12H2
InChIKeyWXPXFJGJZFQLGS-UHFFFAOYSA-N
XLogP1.66
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 51.66
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

2-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-methoxyethyl)ethanamine
CID 54806928
4-(3,4-dihydro-2H-quinolin-1-yl)-N-methylbutan-1-amine
CID 60840995
1-(2-pyrrolidin-1-ylethyl)-3,4-dihydro-2H-quinoline
CID 59807075
tert-butyl N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]carbamate
CID 112757446
N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]pentan-2-amine
CID 55085658
1-(3-pyrrolidin-1-ylpropyl)-3,4-dihydro-2H-quinoline
CID 82085595
2-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethanol
CID 15488047
N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-2-methoxyaniline
CID 54806801
N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-1-phenylpropan-1-amine
CID 54806803
N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-2,3-dimethylaniline
CID 54807403
1-heptyl-3,4-dihydro-2H-quinoline
CID 154324891
4-(3,4-dihydro-2H-quinolin-1-yl)-2-methylbutan-2-ol
CID 79316472

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]prop-2-yn-1-amine?
The IUPAC name of N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]prop-2-yn-1-amine (CID 62574477) is N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]prop-2-yn-1-amine.
What is the SMILES notation for N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]prop-2-yn-1-amine?
The canonical SMILES for N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]prop-2-yn-1-amine is C#CCNCCN1CCCc2ccccc21.
What is the InChIKey of N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]prop-2-yn-1-amine?
The InChIKey is WXPXFJGJZFQLGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c1-2-9-15-10-12-16-11-5-7-13-6-3-4-8-14(13)16/h1,3-4,6,8,15H,5,7,9-12H2.
What are the key properties of N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]prop-2-yn-1-amine?
N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]prop-2-yn-1-amine has a molecular weight of 214.31 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]prop-2-yn-1-amine is sourced from PubChem (CID 62574477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).