(Z)-N',N'-diethyl-N-methyl-1-(4-methylcyclohepta-1,3,5-trien-1-yl)ethene-1,2-diamine

C15H24N2 — CID 143134646

IUPAC(Z)-N',N'-diethyl-N-methyl-1-(4-methylcyclohepta-1,3,5-trien-1-yl)ethene-1,2-diamine
SMILESCCN(/C=C(\NC)C1=CC=C(C)C=CC1)CC
InChIInChI=1S/C15H24N2/c1-5-17(6-2)12-15(16-4)14-9-7-8-13(3)10-11-14/h7-8,10-12,16H,5-6,9H2,1-4H3/b15-12-
InChIKeyZGPMCKXOGSBXRT-QINSGFPZSA-N
MW232.37 g/mol
LogP3.22
Rot. Bonds5

About (Z)-N',N'-diethyl-N-methyl-1-(4-methylcyclohepta-1,3,5-trien-1-yl)ethene-1,2-diamine

(Z)-N',N'-diethyl-N-methyl-1-(4-methylcyclohepta-1,3,5-trien-1-yl)ethene-1,2-diamine (PubChem CID 143134646) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is (Z)-N',N'-diethyl-N-methyl-1-(4-methylcyclohepta-1,3,5-trien-1-yl)ethene-1,2-diamine.

Molecular Properties

Compound Name(Z)-N',N'-diethyl-N-methyl-1-(4-methylcyclohepta-1,3,5-trien-1-yl)ethene-1,2-diamine
PubChem CID143134646
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name(Z)-N',N'-diethyl-N-methyl-1-(4-methylcyclohepta-1,3,5-trien-1-yl)ethene-1,2-diamine
SMILESCCN(/C=C(\NC)C1=CC=C(C)C=CC1)CC
InChIInChI=1S/C15H24N2/c1-5-17(6-2)12-15(16-4)14-9-7-8-13(3)10-11-14/h7-8,10-12,16H,5-6,9H2,1-4H3/b15-12-
InChIKeyZGPMCKXOGSBXRT-QINSGFPZSA-N
XLogP3.22
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (Z)-N',N'-diethyl-N-methyl-1-(4-methylcyclohepta-1,3,5-trien-1-yl)ethene-1,2-diamine?
The IUPAC name of (Z)-N',N'-diethyl-N-methyl-1-(4-methylcyclohepta-1,3,5-trien-1-yl)ethene-1,2-diamine (CID 143134646) is (Z)-N',N'-diethyl-N-methyl-1-(4-methylcyclohepta-1,3,5-trien-1-yl)ethene-1,2-diamine.
What is the SMILES notation for (Z)-N',N'-diethyl-N-methyl-1-(4-methylcyclohepta-1,3,5-trien-1-yl)ethene-1,2-diamine?
The canonical SMILES for (Z)-N',N'-diethyl-N-methyl-1-(4-methylcyclohepta-1,3,5-trien-1-yl)ethene-1,2-diamine is CCN(/C=C(\NC)C1=CC=C(C)C=CC1)CC.
What is the InChIKey of (Z)-N',N'-diethyl-N-methyl-1-(4-methylcyclohepta-1,3,5-trien-1-yl)ethene-1,2-diamine?
The InChIKey is ZGPMCKXOGSBXRT-QINSGFPZSA-N. The full InChI is InChI=1S/C15H24N2/c1-5-17(6-2)12-15(16-4)14-9-7-8-13(3)10-11-14/h7-8,10-12,16H,5-6,9H2,1-4H3/b15-12-.
What are the key properties of (Z)-N',N'-diethyl-N-methyl-1-(4-methylcyclohepta-1,3,5-trien-1-yl)ethene-1,2-diamine?
(Z)-N',N'-diethyl-N-methyl-1-(4-methylcyclohepta-1,3,5-trien-1-yl)ethene-1,2-diamine has a molecular weight of 232.37 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N',N'-diethyl-N-methyl-1-(4-methylcyclohepta-1,3,5-trien-1-yl)ethene-1,2-diamine is sourced from PubChem (CID 143134646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).