2-N-methyl-2-N-(2-methylphenyl)-1-N-propylprop-2-ene-1,2-diamine

C14H22N2 — CID 166707337

IUPAC2-N-methyl-2-N-(2-methylphenyl)-1-N-propylprop-2-ene-1,2-diamine
SMILESC=C(CNCCC)N(C)c1ccccc1C
InChIInChI=1S/C14H22N2/c1-5-10-15-11-13(3)16(4)14-9-7-6-8-12(14)2/h6-9,15H,3,5,10-11H2,1-2,4H3
InChIKeyRGWOXJJDQDGCDQ-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.94
Rot. Bonds6

About 2-N-methyl-2-N-(2-methylphenyl)-1-N-propylprop-2-ene-1,2-diamine

2-N-methyl-2-N-(2-methylphenyl)-1-N-propylprop-2-ene-1,2-diamine (PubChem CID 166707337) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 2-N-methyl-2-N-(2-methylphenyl)-1-N-propylprop-2-ene-1,2-diamine.

Molecular Properties

Compound Name2-N-methyl-2-N-(2-methylphenyl)-1-N-propylprop-2-ene-1,2-diamine
PubChem CID166707337
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name2-N-methyl-2-N-(2-methylphenyl)-1-N-propylprop-2-ene-1,2-diamine
SMILESC=C(CNCCC)N(C)c1ccccc1C
InChIInChI=1S/C14H22N2/c1-5-10-15-11-13(3)16(4)14-9-7-6-8-12(14)2/h6-9,15H,3,5,10-11H2,1-2,4H3
InChIKeyRGWOXJJDQDGCDQ-UHFFFAOYSA-N
XLogP2.94
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 ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-ethyl-N'-(2-methylphenyl)-N-propylethane-1,2-diamine
CID 61386867
2-(2-methoxyethylamino)-N-methyl-N-(2-methylphenyl)acetamide
CID 79282267
3-butyl-1-methyl-1-(2-methylphenyl)urea
CID 116655391
hexane;methyl-(2-methylphenyl)carbamic acid
CID 174980979
2-amino-N-methyl-N-(2-methylphenyl)acetamide
CID 28794373
N,2-dimethyl-N-(2-methylhex-2-en-3-yl)aniline;ethane
CID 142020927
N,4-dimethyl-N-(2-methylphenyl)-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 62766679
N-[(4-bromophenyl)methyl]-N-methyl-2-methylidene-N'-propylpropane-1,3-diamine
CID 103069623
N,2-dimethyl-N-propylaniline
CID 69435269
N'-methyl-N'-(2-methylphenyl)-N-pentylethane-1,2-diamine
CID 62554618
N,2-dimethyl-N-[(3E)-2-methylhexa-1,3,5-trien-3-yl]aniline
CID 144646652
N-methyl-N-(2-methylphenyl)-3-(propylaminomethyl)pyridin-2-amine
CID 62294632

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-2-N-(2-methylphenyl)-1-N-propylprop-2-ene-1,2-diamine?
The IUPAC name of 2-N-methyl-2-N-(2-methylphenyl)-1-N-propylprop-2-ene-1,2-diamine (CID 166707337) is 2-N-methyl-2-N-(2-methylphenyl)-1-N-propylprop-2-ene-1,2-diamine.
What is the SMILES notation for 2-N-methyl-2-N-(2-methylphenyl)-1-N-propylprop-2-ene-1,2-diamine?
The canonical SMILES for 2-N-methyl-2-N-(2-methylphenyl)-1-N-propylprop-2-ene-1,2-diamine is C=C(CNCCC)N(C)c1ccccc1C.
What is the InChIKey of 2-N-methyl-2-N-(2-methylphenyl)-1-N-propylprop-2-ene-1,2-diamine?
The InChIKey is RGWOXJJDQDGCDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-5-10-15-11-13(3)16(4)14-9-7-6-8-12(14)2/h6-9,15H,3,5,10-11H2,1-2,4H3.
What are the key properties of 2-N-methyl-2-N-(2-methylphenyl)-1-N-propylprop-2-ene-1,2-diamine?
2-N-methyl-2-N-(2-methylphenyl)-1-N-propylprop-2-ene-1,2-diamine has a molecular weight of 218.34 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-2-N-(2-methylphenyl)-1-N-propylprop-2-ene-1,2-diamine is sourced from PubChem (CID 166707337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).