N'-(3,5-dimethylphenyl)-N'-methyl-N-prop-2-enylethane-1,2-diamine

C14H22N2 — CID 62556066

IUPACN'-(3,5-dimethylphenyl)-N'-methyl-N-prop-2-enylethane-1,2-diamine
SMILESC=CCNCCN(C)c1cc(C)cc(C)c1
InChIInChI=1S/C14H22N2/c1-5-6-15-7-8-16(4)14-10-12(2)9-13(3)11-14/h5,9-11,15H,1,6-8H2,2-4H3
InChIKeyPMDVAROCYNBPMR-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.52
Rot. Bonds6

About N'-(3,5-dimethylphenyl)-N'-methyl-N-prop-2-enylethane-1,2-diamine

N'-(3,5-dimethylphenyl)-N'-methyl-N-prop-2-enylethane-1,2-diamine (PubChem CID 62556066) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is N'-(3,5-dimethylphenyl)-N'-methyl-N-prop-2-enylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(3,5-dimethylphenyl)-N'-methyl-N-prop-2-enylethane-1,2-diamine
PubChem CID62556066
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC NameN'-(3,5-dimethylphenyl)-N'-methyl-N-prop-2-enylethane-1,2-diamine
SMILESC=CCNCCN(C)c1cc(C)cc(C)c1
InChIInChI=1S/C14H22N2/c1-5-6-15-7-8-16(4)14-10-12(2)9-13(3)11-14/h5,9-11,15H,1,6-8H2,2-4H3
InChIKeyPMDVAROCYNBPMR-UHFFFAOYSA-N
XLogP2.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 4296
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N,N-Diethyltoluene-2,5-diamine hydrochloride
CID 108623
N,N-dimethyl-m-toluidine
CID 8488
N,N-diethyl-m-toluidine
CID 66679
N,N'-Di-o-tolylethylenediamine
CID 66759
Benzylaniline
CID 66028
N-(2-(Dimethylamino)ethyl)aniline
CID 81206
1,2-Ethanediamine, N1-ethyl-N1-(3-methylphenyl)-
CID 87984
N-(1-ethylpropyl)-3,4-dimethylaniline
CID 91984
Phenbenzamine
CID 13751

Frequently Asked Questions

What is the IUPAC name of N'-(3,5-dimethylphenyl)-N'-methyl-N-prop-2-enylethane-1,2-diamine?
The IUPAC name of N'-(3,5-dimethylphenyl)-N'-methyl-N-prop-2-enylethane-1,2-diamine (CID 62556066) is N'-(3,5-dimethylphenyl)-N'-methyl-N-prop-2-enylethane-1,2-diamine.
What is the SMILES notation for N'-(3,5-dimethylphenyl)-N'-methyl-N-prop-2-enylethane-1,2-diamine?
The canonical SMILES for N'-(3,5-dimethylphenyl)-N'-methyl-N-prop-2-enylethane-1,2-diamine is C=CCNCCN(C)c1cc(C)cc(C)c1.
What is the InChIKey of N'-(3,5-dimethylphenyl)-N'-methyl-N-prop-2-enylethane-1,2-diamine?
The InChIKey is PMDVAROCYNBPMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-5-6-15-7-8-16(4)14-10-12(2)9-13(3)11-14/h5,9-11,15H,1,6-8H2,2-4H3.
What are the key properties of N'-(3,5-dimethylphenyl)-N'-methyl-N-prop-2-enylethane-1,2-diamine?
N'-(3,5-dimethylphenyl)-N'-methyl-N-prop-2-enylethane-1,2-diamine has a molecular weight of 218.34 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,5-dimethylphenyl)-N'-methyl-N-prop-2-enylethane-1,2-diamine is sourced from PubChem (CID 62556066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).