N-methyl-1-(4-methylpiperazin-2-yl)-1-(2,4,5-trimethylphenyl)methanamine

C16H27N3 — CID 116956720

IUPACN-methyl-1-(4-methylpiperazin-2-yl)-1-(2,4,5-trimethylphenyl)methanamine
SMILESCNC(c1cc(C)c(C)cc1C)C1CN(C)CCN1
InChIInChI=1S/C16H27N3/c1-11-8-13(3)14(9-12(11)2)16(17-4)15-10-19(5)7-6-18-15/h8-9,15-18H,6-7,10H2,1-5H3
InChIKeyVFUMBLZXOGMMSO-UHFFFAOYSA-N
MW261.41 g/mol
LogP1.78
Rot. Bonds3

About N-methyl-1-(4-methylpiperazin-2-yl)-1-(2,4,5-trimethylphenyl)methanamine

N-methyl-1-(4-methylpiperazin-2-yl)-1-(2,4,5-trimethylphenyl)methanamine (PubChem CID 116956720) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is N-methyl-1-(4-methylpiperazin-2-yl)-1-(2,4,5-trimethylphenyl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(4-methylpiperazin-2-yl)-1-(2,4,5-trimethylphenyl)methanamine
PubChem CID116956720
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC NameN-methyl-1-(4-methylpiperazin-2-yl)-1-(2,4,5-trimethylphenyl)methanamine
SMILESCNC(c1cc(C)c(C)cc1C)C1CN(C)CCN1
InChIInChI=1S/C16H27N3/c1-11-8-13(3)14(9-12(11)2)16(17-4)15-10-19(5)7-6-18-15/h8-9,15-18H,6-7,10H2,1-5H3
InChIKeyVFUMBLZXOGMMSO-UHFFFAOYSA-N
XLogP1.78
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-methylpiperazin-2-yl)-1-(2,4,5-trimethylphenyl)methanamine?
The IUPAC name of N-methyl-1-(4-methylpiperazin-2-yl)-1-(2,4,5-trimethylphenyl)methanamine (CID 116956720) is N-methyl-1-(4-methylpiperazin-2-yl)-1-(2,4,5-trimethylphenyl)methanamine.
What is the SMILES notation for N-methyl-1-(4-methylpiperazin-2-yl)-1-(2,4,5-trimethylphenyl)methanamine?
The canonical SMILES for N-methyl-1-(4-methylpiperazin-2-yl)-1-(2,4,5-trimethylphenyl)methanamine is CNC(c1cc(C)c(C)cc1C)C1CN(C)CCN1.
What is the InChIKey of N-methyl-1-(4-methylpiperazin-2-yl)-1-(2,4,5-trimethylphenyl)methanamine?
The InChIKey is VFUMBLZXOGMMSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-11-8-13(3)14(9-12(11)2)16(17-4)15-10-19(5)7-6-18-15/h8-9,15-18H,6-7,10H2,1-5H3.
What are the key properties of N-methyl-1-(4-methylpiperazin-2-yl)-1-(2,4,5-trimethylphenyl)methanamine?
N-methyl-1-(4-methylpiperazin-2-yl)-1-(2,4,5-trimethylphenyl)methanamine has a molecular weight of 261.41 g/mol, XLogP of 1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-methylpiperazin-2-yl)-1-(2,4,5-trimethylphenyl)methanamine is sourced from PubChem (CID 116956720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).