1-(3,4-dimethylphenyl)-N'-methyl-N'-(1-methylpiperidin-3-yl)ethane-1,2-diamine

C17H29N3 — CID 62546580

IUPAC1-(3,4-dimethylphenyl)-N'-methyl-N'-(1-methylpiperidin-3-yl)ethane-1,2-diamine
SMILESCc1ccc(C(N)CN(C)C2CCCN(C)C2)cc1C
InChIInChI=1S/C17H29N3/c1-13-7-8-15(10-14(13)2)17(18)12-20(4)16-6-5-9-19(3)11-16/h7-8,10,16-17H,5-6,9,11-12,18H2,1-4H3
InChIKeyJYBWMSCMPFLEEG-UHFFFAOYSA-N
MW275.44 g/mol
LogP2.33
Rot. Bonds4

About 1-(3,4-dimethylphenyl)-N'-methyl-N'-(1-methylpiperidin-3-yl)ethane-1,2-diamine

1-(3,4-dimethylphenyl)-N'-methyl-N'-(1-methylpiperidin-3-yl)ethane-1,2-diamine (PubChem CID 62546580) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-N'-methyl-N'-(1-methylpiperidin-3-yl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-N'-methyl-N'-(1-methylpiperidin-3-yl)ethane-1,2-diamine
PubChem CID62546580
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC Name1-(3,4-dimethylphenyl)-N'-methyl-N'-(1-methylpiperidin-3-yl)ethane-1,2-diamine
SMILESCc1ccc(C(N)CN(C)C2CCCN(C)C2)cc1C
InChIInChI=1S/C17H29N3/c1-13-7-8-15(10-14(13)2)17(18)12-20(4)16-6-5-9-19(3)11-16/h7-8,10,16-17H,5-6,9,11-12,18H2,1-4H3
InChIKeyJYBWMSCMPFLEEG-UHFFFAOYSA-N
XLogP2.33
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dimethylphenyl)-N'-methyl-N'-(1-methylpiperidin-3-yl)ethane-1,2-diamine
CID 62545345
1-(2-methoxyphenyl)-N'-methyl-N'-(1-methylpiperidin-3-yl)ethane-1,2-diamine
CID 62545528
1-(2,5-difluorophenyl)-N'-methyl-N'-(1-methylpiperidin-3-yl)ethane-1,2-diamine
CID 107520814
N'-methyl-N'-(1-methylpiperidin-3-yl)-1-thiophen-2-ylethane-1,2-diamine
CID 115287822
2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1-(3,4-dimethylphenyl)ethanamine
CID 62886119
2-[methyl-(1-methylpiperidin-3-yl)amino]-1-phenylethanol
CID 62547685
1-(3,4-dimethylphenyl)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]ethane-1,2-diamine
CID 63275539
N',2,2-trimethyl-N'-(1-methylpiperidin-3-yl)-1-phenylpropane-1,3-diamine
CID 63193569
3-(azepan-1-yl)-1-(3,4-dimethylphenyl)propan-1-amine
CID 82021669
N'-cycloheptyl-1-(3,4-difluorophenyl)-N'-methylethane-1,2-diamine
CID 107519801
4-amino-1-[methyl-(1-methylpiperidin-3-yl)amino]butan-2-ol
CID 117039168
1-(2-methoxy-5-methylphenyl)-2-[methyl-(1-methylpiperidin-3-yl)amino]ethanol
CID 62545228

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-N'-methyl-N'-(1-methylpiperidin-3-yl)ethane-1,2-diamine?
The IUPAC name of 1-(3,4-dimethylphenyl)-N'-methyl-N'-(1-methylpiperidin-3-yl)ethane-1,2-diamine (CID 62546580) is 1-(3,4-dimethylphenyl)-N'-methyl-N'-(1-methylpiperidin-3-yl)ethane-1,2-diamine.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-N'-methyl-N'-(1-methylpiperidin-3-yl)ethane-1,2-diamine?
The canonical SMILES for 1-(3,4-dimethylphenyl)-N'-methyl-N'-(1-methylpiperidin-3-yl)ethane-1,2-diamine is Cc1ccc(C(N)CN(C)C2CCCN(C)C2)cc1C.
What is the InChIKey of 1-(3,4-dimethylphenyl)-N'-methyl-N'-(1-methylpiperidin-3-yl)ethane-1,2-diamine?
The InChIKey is JYBWMSCMPFLEEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-13-7-8-15(10-14(13)2)17(18)12-20(4)16-6-5-9-19(3)11-16/h7-8,10,16-17H,5-6,9,11-12,18H2,1-4H3.
What are the key properties of 1-(3,4-dimethylphenyl)-N'-methyl-N'-(1-methylpiperidin-3-yl)ethane-1,2-diamine?
1-(3,4-dimethylphenyl)-N'-methyl-N'-(1-methylpiperidin-3-yl)ethane-1,2-diamine has a molecular weight of 275.44 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-N'-methyl-N'-(1-methylpiperidin-3-yl)ethane-1,2-diamine is sourced from PubChem (CID 62546580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).