2-methyl-3-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)prop-2-en-1-amine

C14H20N2 — CID 79329028

IUPAC2-methyl-3-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)prop-2-en-1-amine
SMILESCC(=Cc1ccc2c(c1)CCCN2C)CN
InChIInChI=1S/C14H20N2/c1-11(10-15)8-12-5-6-14-13(9-12)4-3-7-16(14)2/h5-6,8-9H,3-4,7,10,15H2,1-2H3
InChIKeyKJAOBSVGEQBYNH-UHFFFAOYSA-N
MW216.33 g/mol
LogP2.43
Rot. Bonds2

About 2-methyl-3-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)prop-2-en-1-amine

2-methyl-3-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)prop-2-en-1-amine (PubChem CID 79329028) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 2-methyl-3-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)prop-2-en-1-amine.

Molecular Properties

Compound Name2-methyl-3-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)prop-2-en-1-amine
PubChem CID79329028
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name2-methyl-3-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)prop-2-en-1-amine
SMILESCC(=Cc1ccc2c(c1)CCCN2C)CN
InChIInChI=1S/C14H20N2/c1-11(10-15)8-12-5-6-14-13(9-12)4-3-7-16(14)2/h5-6,8-9H,3-4,7,10,15H2,1-2H3
InChIKeyKJAOBSVGEQBYNH-UHFFFAOYSA-N
XLogP2.43
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)prop-2-en-1-amine?
The IUPAC name of 2-methyl-3-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)prop-2-en-1-amine (CID 79329028) is 2-methyl-3-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)prop-2-en-1-amine.
What is the SMILES notation for 2-methyl-3-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)prop-2-en-1-amine?
The canonical SMILES for 2-methyl-3-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)prop-2-en-1-amine is CC(=Cc1ccc2c(c1)CCCN2C)CN.
What is the InChIKey of 2-methyl-3-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)prop-2-en-1-amine?
The InChIKey is KJAOBSVGEQBYNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c1-11(10-15)8-12-5-6-14-13(9-12)4-3-7-16(14)2/h5-6,8-9H,3-4,7,10,15H2,1-2H3.
What are the key properties of 2-methyl-3-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)prop-2-en-1-amine?
2-methyl-3-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)prop-2-en-1-amine has a molecular weight of 216.33 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)prop-2-en-1-amine is sourced from PubChem (CID 79329028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).