N-ethyl-N'-methyl-2-methylidene-N'-[(4-methylphenyl)methyl]propane-1,3-diamine

C15H24N2 — CID 103069146

IUPACN-ethyl-N'-methyl-2-methylidene-N'-[(4-methylphenyl)methyl]propane-1,3-diamine
SMILESC=C(CNCC)CN(C)Cc1ccc(C)cc1
InChIInChI=1S/C15H24N2/c1-5-16-10-14(3)11-17(4)12-15-8-6-13(2)7-9-15/h6-9,16H,3,5,10-12H2,1-2,4H3
InChIKeyMYRUVNJUIVLGNE-UHFFFAOYSA-N
MW232.37 g/mol
LogP2.59
Rot. Bonds7

About N-ethyl-N'-methyl-2-methylidene-N'-[(4-methylphenyl)methyl]propane-1,3-diamine

N-ethyl-N'-methyl-2-methylidene-N'-[(4-methylphenyl)methyl]propane-1,3-diamine (PubChem CID 103069146) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is N-ethyl-N'-methyl-2-methylidene-N'-[(4-methylphenyl)methyl]propane-1,3-diamine.

Molecular Properties

Compound NameN-ethyl-N'-methyl-2-methylidene-N'-[(4-methylphenyl)methyl]propane-1,3-diamine
PubChem CID103069146
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC NameN-ethyl-N'-methyl-2-methylidene-N'-[(4-methylphenyl)methyl]propane-1,3-diamine
SMILESC=C(CNCC)CN(C)Cc1ccc(C)cc1
InChIInChI=1S/C15H24N2/c1-5-16-10-14(3)11-17(4)12-15-8-6-13(2)7-9-15/h6-9,16H,3,5,10-12H2,1-2,4H3
InChIKeyMYRUVNJUIVLGNE-UHFFFAOYSA-N
XLogP2.59
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-bromophenyl)methyl]-N-methyl-2-methylidene-N'-propylpropane-1,3-diamine
CID 103069623
N-[(5-bromothiophen-3-yl)methyl]-N'-ethyl-N-methyl-2-methylidenepropane-1,3-diamine
CID 103069893
[methyl-[(4-methylphenyl)methyl]amino]methanethiol
CID 115228025
N-[(4-methylphenyl)methyl]ethanamine
CID 4716476
N-(furan-3-ylmethyl)-N-methyl-2-methylidene-N'-propylpropane-1,3-diamine
CID 103069682
N-[[2-methyl-5-[[methyl-[(4-methylphenyl)methyl]amino]methyl]furan-3-yl]methyl]ethanamine
CID 62419219
ethyl 4-[methyl-[(4-methylphenyl)methyl]amino]-3-oxobutanoate
CID 63898313
N-methyl-N-[[4-(4-methylphenyl)phenyl]methyl]ethanamine
CID 58518810
N-[[5-methyl-4-[[methyl-[(4-methylphenyl)methyl]amino]methyl]furan-2-yl]methyl]ethanamine
CID 62419799
N-(bromomethyl)-N-methyl-1-(4-methylphenyl)methanamine
CID 115261992
5-chloro-2-(ethylaminomethyl)-N-methyl-N-[(4-methylphenyl)methyl]aniline
CID 114847739
N'-methyl-N'-[(4-methylphenyl)methyl]-N-pentylethane-1,2-diamine
CID 62573254

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-methyl-2-methylidene-N'-[(4-methylphenyl)methyl]propane-1,3-diamine?
The IUPAC name of N-ethyl-N'-methyl-2-methylidene-N'-[(4-methylphenyl)methyl]propane-1,3-diamine (CID 103069146) is N-ethyl-N'-methyl-2-methylidene-N'-[(4-methylphenyl)methyl]propane-1,3-diamine.
What is the SMILES notation for N-ethyl-N'-methyl-2-methylidene-N'-[(4-methylphenyl)methyl]propane-1,3-diamine?
The canonical SMILES for N-ethyl-N'-methyl-2-methylidene-N'-[(4-methylphenyl)methyl]propane-1,3-diamine is C=C(CNCC)CN(C)Cc1ccc(C)cc1.
What is the InChIKey of N-ethyl-N'-methyl-2-methylidene-N'-[(4-methylphenyl)methyl]propane-1,3-diamine?
The InChIKey is MYRUVNJUIVLGNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-5-16-10-14(3)11-17(4)12-15-8-6-13(2)7-9-15/h6-9,16H,3,5,10-12H2,1-2,4H3.
What are the key properties of N-ethyl-N'-methyl-2-methylidene-N'-[(4-methylphenyl)methyl]propane-1,3-diamine?
N-ethyl-N'-methyl-2-methylidene-N'-[(4-methylphenyl)methyl]propane-1,3-diamine has a molecular weight of 232.37 g/mol, XLogP of 2.59, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-methyl-2-methylidene-N'-[(4-methylphenyl)methyl]propane-1,3-diamine is sourced from PubChem (CID 103069146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).