N-[(2-methylidene-3,4-dihydro-1H-quinolin-7-yl)methyl]ethenamine;2-methyl-4-methylideneazetidine

C18H25N3 — CID 145472102

IUPACN-[(2-methylidene-3,4-dihydro-1H-quinolin-7-yl)methyl]ethenamine;2-methyl-4-methylideneazetidine
SMILESC=C1CC(C)N1.C=CNCc1ccc2c(c1)NC(=C)CC2
InChIInChI=1S/C13H16N2.C5H9N/c1-3-14-9-11-5-7-12-6-4-10(2)15-13(12)8-11;1-4-3-5(2)6-4/h3,5,7-8,14-15H,1-2,4,6,9H2;5-6H,1,3H2,2H3
InChIKeyHTFNNDJYCUAWJR-UHFFFAOYSA-N
MW283.42 g/mol
LogP3.67
Rot. Bonds3

About N-[(2-methylidene-3,4-dihydro-1H-quinolin-7-yl)methyl]ethenamine;2-methyl-4-methylideneazetidine

N-[(2-methylidene-3,4-dihydro-1H-quinolin-7-yl)methyl]ethenamine;2-methyl-4-methylideneazetidine (PubChem CID 145472102) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is N-[(2-methylidene-3,4-dihydro-1H-quinolin-7-yl)methyl]ethenamine;2-methyl-4-methylideneazetidine.

Molecular Properties

Compound NameN-[(2-methylidene-3,4-dihydro-1H-quinolin-7-yl)methyl]ethenamine;2-methyl-4-methylideneazetidine
PubChem CID145472102
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC NameN-[(2-methylidene-3,4-dihydro-1H-quinolin-7-yl)methyl]ethenamine;2-methyl-4-methylideneazetidine
SMILESC=C1CC(C)N1.C=CNCc1ccc2c(c1)NC(=C)CC2
InChIInChI=1S/C13H16N2.C5H9N/c1-3-14-9-11-5-7-12-6-4-10(2)15-13(12)8-11;1-4-3-5(2)6-4/h3,5,7-8,14-15H,1-2,4,6,9H2;5-6H,1,3H2,2H3
InChIKeyHTFNNDJYCUAWJR-UHFFFAOYSA-N
XLogP3.67
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 53.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

CID 66678
CID 66678
CID 69460
CID 69460
CID 86854
CID 86854
CID 96289
CID 96289
CID 70542
CID 70542
CID 101035
CID 101035
CID 134142903
CID 134142903
CID 134147456
CID 134147456
CID 162643595
CID 162643595
CID 125957
CID 125957
CID 20824945
CID 20824945
CID 3043615
CID 3043615

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylidene-3,4-dihydro-1H-quinolin-7-yl)methyl]ethenamine;2-methyl-4-methylideneazetidine?
The IUPAC name of N-[(2-methylidene-3,4-dihydro-1H-quinolin-7-yl)methyl]ethenamine;2-methyl-4-methylideneazetidine (CID 145472102) is N-[(2-methylidene-3,4-dihydro-1H-quinolin-7-yl)methyl]ethenamine;2-methyl-4-methylideneazetidine.
What is the SMILES notation for N-[(2-methylidene-3,4-dihydro-1H-quinolin-7-yl)methyl]ethenamine;2-methyl-4-methylideneazetidine?
The canonical SMILES for N-[(2-methylidene-3,4-dihydro-1H-quinolin-7-yl)methyl]ethenamine;2-methyl-4-methylideneazetidine is C=C1CC(C)N1.C=CNCc1ccc2c(c1)NC(=C)CC2.
What is the InChIKey of N-[(2-methylidene-3,4-dihydro-1H-quinolin-7-yl)methyl]ethenamine;2-methyl-4-methylideneazetidine?
The InChIKey is HTFNNDJYCUAWJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2.C5H9N/c1-3-14-9-11-5-7-12-6-4-10(2)15-13(12)8-11;1-4-3-5(2)6-4/h3,5,7-8,14-15H,1-2,4,6,9H2;5-6H,1,3H2,2H3.
What are the key properties of N-[(2-methylidene-3,4-dihydro-1H-quinolin-7-yl)methyl]ethenamine;2-methyl-4-methylideneazetidine?
N-[(2-methylidene-3,4-dihydro-1H-quinolin-7-yl)methyl]ethenamine;2-methyl-4-methylideneazetidine has a molecular weight of 283.42 g/mol, XLogP of 3.67, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylidene-3,4-dihydro-1H-quinolin-7-yl)methyl]ethenamine;2-methyl-4-methylideneazetidine is sourced from PubChem (CID 145472102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).