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

C14H20N2 — CID 62072231

IUPACN-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]prop-2-en-1-amine
SMILESC=CCNCc1ccc2c(c1)CCCN2C
InChIInChI=1S/C14H20N2/c1-3-8-15-11-12-6-7-14-13(10-12)5-4-9-16(14)2/h3,6-7,10,15H,1,4-5,8-9,11H2,2H3
InChIKeyZPWPHSKKSFUTNW-UHFFFAOYSA-N
MW216.33 g/mol
LogP2.34
Rot. Bonds4

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

N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]prop-2-en-1-amine (PubChem CID 62072231) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]prop-2-en-1-amine.

Molecular Properties

Compound NameN-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]prop-2-en-1-amine
PubChem CID62072231
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC NameN-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]prop-2-en-1-amine
SMILESC=CCNCc1ccc2c(c1)CCCN2C
InChIInChI=1S/C14H20N2/c1-3-8-15-11-12-6-7-14-13(10-12)5-4-9-16(14)2/h3,6-7,10,15H,1,4-5,8-9,11H2,2H3
InChIKeyZPWPHSKKSFUTNW-UHFFFAOYSA-N
XLogP2.34
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]prop-2-en-1-amine?
The IUPAC name of N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]prop-2-en-1-amine (CID 62072231) is N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]prop-2-en-1-amine.
What is the SMILES notation for N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]prop-2-en-1-amine?
The canonical SMILES for N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]prop-2-en-1-amine is C=CCNCc1ccc2c(c1)CCCN2C.
What is the InChIKey of N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]prop-2-en-1-amine?
The InChIKey is ZPWPHSKKSFUTNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c1-3-8-15-11-12-6-7-14-13(10-12)5-4-9-16(14)2/h3,6-7,10,15H,1,4-5,8-9,11H2,2H3.
What are the key properties of N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]prop-2-en-1-amine?
N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]prop-2-en-1-amine has a molecular weight of 216.33 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]prop-2-en-1-amine is sourced from PubChem (CID 62072231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).