N-methyl-1-quinolin-2-ylhex-4-yn-1-amine

C16H18N2 — CID 104805621

IUPACN-methyl-1-quinolin-2-ylhex-4-yn-1-amine
SMILESCC#CCCC(NC)c1ccc2ccccc2n1
InChIInChI=1S/C16H18N2/c1-3-4-5-10-15(17-2)16-12-11-13-8-6-7-9-14(13)18-16/h6-9,11-12,15,17H,5,10H2,1-2H3
InChIKeyAGFRQZIVMMJJCK-UHFFFAOYSA-N
MW238.33 g/mol
LogP3.30
Rot. Bonds4

About N-methyl-1-quinolin-2-ylhex-4-yn-1-amine

N-methyl-1-quinolin-2-ylhex-4-yn-1-amine (PubChem CID 104805621) has the molecular formula C16H18N2 and a molecular weight of 238.33 g/mol. Its IUPAC name is N-methyl-1-quinolin-2-ylhex-4-yn-1-amine.

Molecular Properties

Compound NameN-methyl-1-quinolin-2-ylhex-4-yn-1-amine
PubChem CID104805621
Molecular FormulaC16H18N2
Molecular Weight238.33 g/mol
Exact Mass238.15
IUPAC NameN-methyl-1-quinolin-2-ylhex-4-yn-1-amine
SMILESCC#CCCC(NC)c1ccc2ccccc2n1
InChIInChI=1S/C16H18N2/c1-3-4-5-10-15(17-2)16-12-11-13-8-6-7-9-14(13)18-16/h6-9,11-12,15,17H,5,10H2,1-2H3
InChIKeyAGFRQZIVMMJJCK-UHFFFAOYSA-N
XLogP3.30
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-quinolin-2-ylpent-3-ynylhydrazine
CID 105218650
N-methyl-1-quinolin-2-ylbut-3-yn-1-amine
CID 63222554
N-propyl-1-quinolin-2-ylpent-3-yn-1-amine
CID 63222561
N-methyl-1-quinolin-2-yloct-7-en-1-amine
CID 107009092
N-methyl-3-methylidene-1-quinolin-2-ylpentan-1-amine
CID 66036857
2-(2-bromophenyl)-N-methyl-1-quinolin-2-ylethanamine
CID 63222720
1-(2,6-dimethyl-3-pyridinyl)-N-methylhex-4-yn-1-amine
CID 105181422
N-methyl-1-(2-methylsulfanylphenyl)hex-4-yn-1-amine
CID 105037585
N-propyl-1-quinolin-2-ylbut-3-yn-1-amine
CID 63222640
(3-methyl-1-quinolin-2-ylhexyl)hydrazine
CID 105218682
1-quinolin-2-ylhex-4-yn-1-one
CID 104803208
methane;2-propan-2-ylquinoline
CID 161334581

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-quinolin-2-ylhex-4-yn-1-amine?
The IUPAC name of N-methyl-1-quinolin-2-ylhex-4-yn-1-amine (CID 104805621) is N-methyl-1-quinolin-2-ylhex-4-yn-1-amine.
What is the SMILES notation for N-methyl-1-quinolin-2-ylhex-4-yn-1-amine?
The canonical SMILES for N-methyl-1-quinolin-2-ylhex-4-yn-1-amine is CC#CCCC(NC)c1ccc2ccccc2n1.
What is the InChIKey of N-methyl-1-quinolin-2-ylhex-4-yn-1-amine?
The InChIKey is AGFRQZIVMMJJCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2/c1-3-4-5-10-15(17-2)16-12-11-13-8-6-7-9-14(13)18-16/h6-9,11-12,15,17H,5,10H2,1-2H3.
What are the key properties of N-methyl-1-quinolin-2-ylhex-4-yn-1-amine?
N-methyl-1-quinolin-2-ylhex-4-yn-1-amine has a molecular weight of 238.33 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-quinolin-2-ylhex-4-yn-1-amine is sourced from PubChem (CID 104805621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).