N-[(1,4-dimethylpiperazin-2-yl)methyl]naphthalen-2-amine

C17H23N3 — CID 63897643

IUPACN-[(1,4-dimethylpiperazin-2-yl)methyl]naphthalen-2-amine
SMILESCN1CCN(C)C(CNc2ccc3ccccc3c2)C1
InChIInChI=1S/C17H23N3/c1-19-9-10-20(2)17(13-19)12-18-16-8-7-14-5-3-4-6-15(14)11-16/h3-8,11,17-18H,9-10,12-13H2,1-2H3
InChIKeyBKROMYMWWKWWON-UHFFFAOYSA-N
MW269.39 g/mol
LogP2.50
Rot. Bonds3

About N-[(1,4-dimethylpiperazin-2-yl)methyl]naphthalen-2-amine

N-[(1,4-dimethylpiperazin-2-yl)methyl]naphthalen-2-amine (PubChem CID 63897643) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is N-[(1,4-dimethylpiperazin-2-yl)methyl]naphthalen-2-amine.

Molecular Properties

Compound NameN-[(1,4-dimethylpiperazin-2-yl)methyl]naphthalen-2-amine
PubChem CID63897643
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC NameN-[(1,4-dimethylpiperazin-2-yl)methyl]naphthalen-2-amine
SMILESCN1CCN(C)C(CNc2ccc3ccccc3c2)C1
InChIInChI=1S/C17H23N3/c1-19-9-10-20(2)17(13-19)12-18-16-8-7-14-5-3-4-6-15(14)11-16/h3-8,11,17-18H,9-10,12-13H2,1-2H3
InChIKeyBKROMYMWWKWWON-UHFFFAOYSA-N
XLogP2.50
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-methylpiperazin-2-yl)methyl]naphthalen-2-amine
CID 115238597
N-[(1,4-dimethylpiperazin-2-yl)methyl]quinolin-2-amine
CID 63896921
5-N-[(1,4-dimethylpiperazin-2-yl)methyl]pyridine-2,5-diamine
CID 63897051
N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-methylsulfonylaniline
CID 63897640
N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-nitroaniline
CID 63897830
N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-ethylsulfonylaniline
CID 63899170
methyl 2-amino-5-[(1,4-dimethylpiperazin-2-yl)methylamino]benzoate
CID 63899023
N-[(1,4-dimethylpiperazin-2-yl)methyl]-4,6-dimethylpyrimidin-2-amine
CID 63899169
5-N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-N-methylpyridine-3,5-diamine
CID 104534729
N-[(1,4-dimethylpiperazin-2-yl)methyl]quinoxalin-2-amine
CID 63898211
6-N-[(1,4-dimethylpiperazin-2-yl)methyl]pyridine-2,6-diamine
CID 80647172
N-[(1,4-dimethylpiperazin-2-yl)methyl]-6-nitropyridin-3-amine
CID 63897277

Frequently Asked Questions

What is the IUPAC name of N-[(1,4-dimethylpiperazin-2-yl)methyl]naphthalen-2-amine?
The IUPAC name of N-[(1,4-dimethylpiperazin-2-yl)methyl]naphthalen-2-amine (CID 63897643) is N-[(1,4-dimethylpiperazin-2-yl)methyl]naphthalen-2-amine.
What is the SMILES notation for N-[(1,4-dimethylpiperazin-2-yl)methyl]naphthalen-2-amine?
The canonical SMILES for N-[(1,4-dimethylpiperazin-2-yl)methyl]naphthalen-2-amine is CN1CCN(C)C(CNc2ccc3ccccc3c2)C1.
What is the InChIKey of N-[(1,4-dimethylpiperazin-2-yl)methyl]naphthalen-2-amine?
The InChIKey is BKROMYMWWKWWON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-19-9-10-20(2)17(13-19)12-18-16-8-7-14-5-3-4-6-15(14)11-16/h3-8,11,17-18H,9-10,12-13H2,1-2H3.
What are the key properties of N-[(1,4-dimethylpiperazin-2-yl)methyl]naphthalen-2-amine?
N-[(1,4-dimethylpiperazin-2-yl)methyl]naphthalen-2-amine has a molecular weight of 269.39 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,4-dimethylpiperazin-2-yl)methyl]naphthalen-2-amine is sourced from PubChem (CID 63897643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).