2-methyl-N-[(1-methylpiperazin-2-yl)methyl]-5-propan-2-ylaniline

C16H27N3 — CID 115238269

IUPAC2-methyl-N-[(1-methylpiperazin-2-yl)methyl]-5-propan-2-ylaniline
SMILESCc1ccc(C(C)C)cc1NCC1CNCCN1C
InChIInChI=1S/C16H27N3/c1-12(2)14-6-5-13(3)16(9-14)18-11-15-10-17-7-8-19(15)4/h5-6,9,12,15,17-18H,7-8,10-11H2,1-4H3
InChIKeyUNBMSHALXLMTKV-UHFFFAOYSA-N
MW261.41 g/mol
LogP2.43
Rot. Bonds4

About 2-methyl-N-[(1-methylpiperazin-2-yl)methyl]-5-propan-2-ylaniline

2-methyl-N-[(1-methylpiperazin-2-yl)methyl]-5-propan-2-ylaniline (PubChem CID 115238269) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 2-methyl-N-[(1-methylpiperazin-2-yl)methyl]-5-propan-2-ylaniline.

Molecular Properties

Compound Name2-methyl-N-[(1-methylpiperazin-2-yl)methyl]-5-propan-2-ylaniline
PubChem CID115238269
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name2-methyl-N-[(1-methylpiperazin-2-yl)methyl]-5-propan-2-ylaniline
SMILESCc1ccc(C(C)C)cc1NCC1CNCCN1C
InChIInChI=1S/C16H27N3/c1-12(2)14-6-5-13(3)16(9-14)18-11-15-10-17-7-8-19(15)4/h5-6,9,12,15,17-18H,7-8,10-11H2,1-4H3
InChIKeyUNBMSHALXLMTKV-UHFFFAOYSA-N
XLogP2.43
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1-methylpiperazin-2-yl)methyl]-5-propan-2-ylaniline?
The IUPAC name of 2-methyl-N-[(1-methylpiperazin-2-yl)methyl]-5-propan-2-ylaniline (CID 115238269) is 2-methyl-N-[(1-methylpiperazin-2-yl)methyl]-5-propan-2-ylaniline.
What is the SMILES notation for 2-methyl-N-[(1-methylpiperazin-2-yl)methyl]-5-propan-2-ylaniline?
The canonical SMILES for 2-methyl-N-[(1-methylpiperazin-2-yl)methyl]-5-propan-2-ylaniline is Cc1ccc(C(C)C)cc1NCC1CNCCN1C.
What is the InChIKey of 2-methyl-N-[(1-methylpiperazin-2-yl)methyl]-5-propan-2-ylaniline?
The InChIKey is UNBMSHALXLMTKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-12(2)14-6-5-13(3)16(9-14)18-11-15-10-17-7-8-19(15)4/h5-6,9,12,15,17-18H,7-8,10-11H2,1-4H3.
What are the key properties of 2-methyl-N-[(1-methylpiperazin-2-yl)methyl]-5-propan-2-ylaniline?
2-methyl-N-[(1-methylpiperazin-2-yl)methyl]-5-propan-2-ylaniline has a molecular weight of 261.41 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(1-methylpiperazin-2-yl)methyl]-5-propan-2-ylaniline is sourced from PubChem (CID 115238269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).