N-[(3,4-dimethylphenyl)methyl]-N-methyl-1-(4-methylpiperazin-2-yl)methanamine

C16H27N3 — CID 115238706

IUPACN-[(3,4-dimethylphenyl)methyl]-N-methyl-1-(4-methylpiperazin-2-yl)methanamine
SMILESCc1ccc(CN(C)CC2CN(C)CCN2)cc1C
InChIInChI=1S/C16H27N3/c1-13-5-6-15(9-14(13)2)10-19(4)12-16-11-18(3)8-7-17-16/h5-6,9,16-17H,7-8,10-12H2,1-4H3
InChIKeyKHGCWIWPYXPXCW-UHFFFAOYSA-N
MW261.41 g/mol
LogP1.64
Rot. Bonds4

About N-[(3,4-dimethylphenyl)methyl]-N-methyl-1-(4-methylpiperazin-2-yl)methanamine

N-[(3,4-dimethylphenyl)methyl]-N-methyl-1-(4-methylpiperazin-2-yl)methanamine (PubChem CID 115238706) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is N-[(3,4-dimethylphenyl)methyl]-N-methyl-1-(4-methylpiperazin-2-yl)methanamine.

Molecular Properties

Compound NameN-[(3,4-dimethylphenyl)methyl]-N-methyl-1-(4-methylpiperazin-2-yl)methanamine
PubChem CID115238706
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC NameN-[(3,4-dimethylphenyl)methyl]-N-methyl-1-(4-methylpiperazin-2-yl)methanamine
SMILESCc1ccc(CN(C)CC2CN(C)CCN2)cc1C
InChIInChI=1S/C16H27N3/c1-13-5-6-15(9-14(13)2)10-19(4)12-16-11-18(3)8-7-17-16/h5-6,9,16-17H,7-8,10-12H2,1-4H3
InChIKeyKHGCWIWPYXPXCW-UHFFFAOYSA-N
XLogP1.64
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethylphenyl)methyl]-N-methyl-1-(4-methylpiperazin-2-yl)methanamine?
The IUPAC name of N-[(3,4-dimethylphenyl)methyl]-N-methyl-1-(4-methylpiperazin-2-yl)methanamine (CID 115238706) is N-[(3,4-dimethylphenyl)methyl]-N-methyl-1-(4-methylpiperazin-2-yl)methanamine.
What is the SMILES notation for N-[(3,4-dimethylphenyl)methyl]-N-methyl-1-(4-methylpiperazin-2-yl)methanamine?
The canonical SMILES for N-[(3,4-dimethylphenyl)methyl]-N-methyl-1-(4-methylpiperazin-2-yl)methanamine is Cc1ccc(CN(C)CC2CN(C)CCN2)cc1C.
What is the InChIKey of N-[(3,4-dimethylphenyl)methyl]-N-methyl-1-(4-methylpiperazin-2-yl)methanamine?
The InChIKey is KHGCWIWPYXPXCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-13-5-6-15(9-14(13)2)10-19(4)12-16-11-18(3)8-7-17-16/h5-6,9,16-17H,7-8,10-12H2,1-4H3.
What are the key properties of N-[(3,4-dimethylphenyl)methyl]-N-methyl-1-(4-methylpiperazin-2-yl)methanamine?
N-[(3,4-dimethylphenyl)methyl]-N-methyl-1-(4-methylpiperazin-2-yl)methanamine has a molecular weight of 261.41 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethylphenyl)methyl]-N-methyl-1-(4-methylpiperazin-2-yl)methanamine is sourced from PubChem (CID 115238706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).