N,N'-dimethyl-1-(2-methylphenyl)-N'-(1-methylpiperidin-4-yl)propane-1,3-diamine

C18H31N3 — CID 62630412

IUPACN,N'-dimethyl-1-(2-methylphenyl)-N'-(1-methylpiperidin-4-yl)propane-1,3-diamine
SMILESCNC(CCN(C)C1CCN(C)CC1)c1ccccc1C
InChIInChI=1S/C18H31N3/c1-15-7-5-6-8-17(15)18(19-2)11-14-21(4)16-9-12-20(3)13-10-16/h5-8,16,18-19H,9-14H2,1-4H3
InChIKeyGWSXZCKSFUOARA-UHFFFAOYSA-N
MW289.47 g/mol
LogP2.67
Rot. Bonds6

About N,N'-dimethyl-1-(2-methylphenyl)-N'-(1-methylpiperidin-4-yl)propane-1,3-diamine

N,N'-dimethyl-1-(2-methylphenyl)-N'-(1-methylpiperidin-4-yl)propane-1,3-diamine (PubChem CID 62630412) has the molecular formula C18H31N3 and a molecular weight of 289.47 g/mol. Its IUPAC name is N,N'-dimethyl-1-(2-methylphenyl)-N'-(1-methylpiperidin-4-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN,N'-dimethyl-1-(2-methylphenyl)-N'-(1-methylpiperidin-4-yl)propane-1,3-diamine
PubChem CID62630412
Molecular FormulaC18H31N3
Molecular Weight289.47 g/mol
Exact Mass289.25
IUPAC NameN,N'-dimethyl-1-(2-methylphenyl)-N'-(1-methylpiperidin-4-yl)propane-1,3-diamine
SMILESCNC(CCN(C)C1CCN(C)CC1)c1ccccc1C
InChIInChI=1S/C18H31N3/c1-15-7-5-6-8-17(15)18(19-2)11-14-21(4)16-9-12-20(3)13-10-16/h5-8,16,18-19H,9-14H2,1-4H3
InChIKeyGWSXZCKSFUOARA-UHFFFAOYSA-N
XLogP2.67
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.47
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N'-dimethyl-1-(2-methylphenyl)-N'-(1-methylpiperidin-4-yl)propane-1,3-diamine?
The IUPAC name of N,N'-dimethyl-1-(2-methylphenyl)-N'-(1-methylpiperidin-4-yl)propane-1,3-diamine (CID 62630412) is N,N'-dimethyl-1-(2-methylphenyl)-N'-(1-methylpiperidin-4-yl)propane-1,3-diamine.
What is the SMILES notation for N,N'-dimethyl-1-(2-methylphenyl)-N'-(1-methylpiperidin-4-yl)propane-1,3-diamine?
The canonical SMILES for N,N'-dimethyl-1-(2-methylphenyl)-N'-(1-methylpiperidin-4-yl)propane-1,3-diamine is CNC(CCN(C)C1CCN(C)CC1)c1ccccc1C.
What is the InChIKey of N,N'-dimethyl-1-(2-methylphenyl)-N'-(1-methylpiperidin-4-yl)propane-1,3-diamine?
The InChIKey is GWSXZCKSFUOARA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3/c1-15-7-5-6-8-17(15)18(19-2)11-14-21(4)16-9-12-20(3)13-10-16/h5-8,16,18-19H,9-14H2,1-4H3.
What are the key properties of N,N'-dimethyl-1-(2-methylphenyl)-N'-(1-methylpiperidin-4-yl)propane-1,3-diamine?
N,N'-dimethyl-1-(2-methylphenyl)-N'-(1-methylpiperidin-4-yl)propane-1,3-diamine has a molecular weight of 289.47 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethyl-1-(2-methylphenyl)-N'-(1-methylpiperidin-4-yl)propane-1,3-diamine is sourced from PubChem (CID 62630412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).