N'-methyl-1-(3-methylphenyl)-N'-propylethane-1,2-diamine

C13H22N2 — CID 61308176

IUPACN'-methyl-1-(3-methylphenyl)-N'-propylethane-1,2-diamine
SMILESCCCN(C)CC(N)c1cccc(C)c1
InChIInChI=1S/C13H22N2/c1-4-8-15(3)10-13(14)12-7-5-6-11(2)9-12/h5-7,9,13H,4,8,10,14H2,1-3H3
InChIKeyYYZZBZRAHFVIDI-UHFFFAOYSA-N
MW206.33 g/mol
LogP2.34
Rot. Bonds5

About N'-methyl-1-(3-methylphenyl)-N'-propylethane-1,2-diamine

N'-methyl-1-(3-methylphenyl)-N'-propylethane-1,2-diamine (PubChem CID 61308176) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is N'-methyl-1-(3-methylphenyl)-N'-propylethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-1-(3-methylphenyl)-N'-propylethane-1,2-diamine
PubChem CID61308176
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC NameN'-methyl-1-(3-methylphenyl)-N'-propylethane-1,2-diamine
SMILESCCCN(C)CC(N)c1cccc(C)c1
InChIInChI=1S/C13H22N2/c1-4-8-15(3)10-13(14)12-7-5-6-11(2)9-12/h5-7,9,13H,4,8,10,14H2,1-3H3
InChIKeyYYZZBZRAHFVIDI-UHFFFAOYSA-N
XLogP2.34
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-ethyl-1-(3-methylphenyl)-N'-propylethane-1,2-diamine
CID 61311067
N'-methyl-N'-(2-methylbutyl)-1-(3-methylphenyl)ethane-1,2-diamine
CID 61308743
1-(3-methylphenyl)-N'-pentyl-N'-propan-2-ylethane-1,2-diamine
CID 55002353
N'-butan-2-yl-N'-ethyl-1-(3-methylphenyl)ethane-1,2-diamine
CID 61308741
N'-methyl-1-(3-methylphenyl)-N'-pentan-3-ylpropane-1,3-diamine
CID 62628722
1-(3,4-dimethoxyphenyl)-N'-methyl-N'-propylethane-1,2-diamine
CID 43271198
N'-cyclohexyl-N'-methyl-1-(3-methylphenyl)ethane-1,2-diamine
CID 61308548
N'-butan-2-yl-N'-(2-methoxyethyl)-1-(3-methylphenyl)ethane-1,2-diamine
CID 54999518
N'-(1-cyclopropylethyl)-N'-methyl-1-(3-methylphenyl)ethane-1,2-diamine
CID 61309492
N'-cyclopentyl-N'-ethyl-1-(3-methylphenyl)ethane-1,2-diamine
CID 61308928
1-(3,4-dimethylphenyl)-N'-methyl-N'-pentylethane-1,2-diamine
CID 43294808
(2-amino-2-methylhydrazinyl)-(3-methylphenyl)methanamine;ethane
CID 142338489

Frequently Asked Questions

What is the IUPAC name of N'-methyl-1-(3-methylphenyl)-N'-propylethane-1,2-diamine?
The IUPAC name of N'-methyl-1-(3-methylphenyl)-N'-propylethane-1,2-diamine (CID 61308176) is N'-methyl-1-(3-methylphenyl)-N'-propylethane-1,2-diamine.
What is the SMILES notation for N'-methyl-1-(3-methylphenyl)-N'-propylethane-1,2-diamine?
The canonical SMILES for N'-methyl-1-(3-methylphenyl)-N'-propylethane-1,2-diamine is CCCN(C)CC(N)c1cccc(C)c1.
What is the InChIKey of N'-methyl-1-(3-methylphenyl)-N'-propylethane-1,2-diamine?
The InChIKey is YYZZBZRAHFVIDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-4-8-15(3)10-13(14)12-7-5-6-11(2)9-12/h5-7,9,13H,4,8,10,14H2,1-3H3.
What are the key properties of N'-methyl-1-(3-methylphenyl)-N'-propylethane-1,2-diamine?
N'-methyl-1-(3-methylphenyl)-N'-propylethane-1,2-diamine has a molecular weight of 206.33 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-1-(3-methylphenyl)-N'-propylethane-1,2-diamine is sourced from PubChem (CID 61308176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).