1-methyl-2-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-naphthalen-1-amine

C16H25N3 — CID 43830899

IUPAC1-methyl-2-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-naphthalen-1-amine
SMILESCN1CCN(C2CCc3ccccc3C2(C)N)CC1
InChIInChI=1S/C16H25N3/c1-16(17)14-6-4-3-5-13(14)7-8-15(16)19-11-9-18(2)10-12-19/h3-6,15H,7-12,17H2,1-2H3
InChIKeyZSAPQQBWFRZSQG-UHFFFAOYSA-N
MW259.40 g/mol
LogP1.42
Rot. Bonds1

About 1-methyl-2-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-naphthalen-1-amine

1-methyl-2-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-naphthalen-1-amine (PubChem CID 43830899) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is 1-methyl-2-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-naphthalen-1-amine.

Molecular Properties

Compound Name1-methyl-2-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-naphthalen-1-amine
PubChem CID43830899
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC Name1-methyl-2-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-naphthalen-1-amine
SMILESCN1CCN(C2CCc3ccccc3C2(C)N)CC1
InChIInChI=1S/C16H25N3/c1-16(17)14-6-4-3-5-13(14)7-8-15(16)19-11-9-18(2)10-12-19/h3-6,15H,7-12,17H2,1-2H3
InChIKeyZSAPQQBWFRZSQG-UHFFFAOYSA-N
XLogP1.42
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-naphthalen-1-amine?
The IUPAC name of 1-methyl-2-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-naphthalen-1-amine (CID 43830899) is 1-methyl-2-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-naphthalen-1-amine.
What is the SMILES notation for 1-methyl-2-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-naphthalen-1-amine?
The canonical SMILES for 1-methyl-2-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-naphthalen-1-amine is CN1CCN(C2CCc3ccccc3C2(C)N)CC1.
What is the InChIKey of 1-methyl-2-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-naphthalen-1-amine?
The InChIKey is ZSAPQQBWFRZSQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-16(17)14-6-4-3-5-13(14)7-8-15(16)19-11-9-18(2)10-12-19/h3-6,15H,7-12,17H2,1-2H3.
What are the key properties of 1-methyl-2-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-naphthalen-1-amine?
1-methyl-2-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-naphthalen-1-amine has a molecular weight of 259.40 g/mol, XLogP of 1.42, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-naphthalen-1-amine is sourced from PubChem (CID 43830899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).