N-[(4-methylpiperazin-2-yl)methyl]naphthalen-2-amine

C16H21N3 — CID 115238597

IUPACN-[(4-methylpiperazin-2-yl)methyl]naphthalen-2-amine
SMILESCN1CCNC(CNc2ccc3ccccc3c2)C1
InChIInChI=1S/C16H21N3/c1-19-9-8-17-16(12-19)11-18-15-7-6-13-4-2-3-5-14(13)10-15/h2-7,10,16-18H,8-9,11-12H2,1H3
InChIKeyGHGLYWYWFUBYOB-UHFFFAOYSA-N
MW255.37 g/mol
LogP2.16
Rot. Bonds3

About N-[(4-methylpiperazin-2-yl)methyl]naphthalen-2-amine

N-[(4-methylpiperazin-2-yl)methyl]naphthalen-2-amine (PubChem CID 115238597) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is N-[(4-methylpiperazin-2-yl)methyl]naphthalen-2-amine.

Molecular Properties

Compound NameN-[(4-methylpiperazin-2-yl)methyl]naphthalen-2-amine
PubChem CID115238597
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC NameN-[(4-methylpiperazin-2-yl)methyl]naphthalen-2-amine
SMILESCN1CCNC(CNc2ccc3ccccc3c2)C1
InChIInChI=1S/C16H21N3/c1-19-9-8-17-16(12-19)11-18-15-7-6-13-4-2-3-5-14(13)10-15/h2-7,10,16-18H,8-9,11-12H2,1H3
InChIKeyGHGLYWYWFUBYOB-UHFFFAOYSA-N
XLogP2.16
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-3-methyl-N-[(4-methylpiperazin-2-yl)methyl]aniline
CID 115238533
N-[(1,4-dimethylpiperazin-2-yl)methyl]naphthalen-2-amine
CID 63897643
N-[(4-methylpiperazin-2-yl)methyl]-2,3-dihydro-1-benzofuran-5-amine
CID 115238582
4-methyl-N-naphthalen-2-ylpiperazine-2-carboxamide
CID 115177936
oxalic acid;N-(pyrrolidin-2-ylmethyl)naphthalen-2-amine
CID 17389955
3-methyl-N-[(4-methylpiperazin-2-yl)methyl]thiophen-2-amine
CID 115238602
N-[(2-bromophenyl)methyl]-1-(4-methylpiperazin-2-yl)methanamine
CID 115238694
1-methyl-3-(2-phenylethyl)piperazine
CID 82470032
2-(2-methoxyphenyl)-N-[(4-methylpiperazin-2-yl)methyl]ethanamine
CID 115238770
6-bromo-N-[(1-methylpiperidin-3-yl)methyl]naphthalen-2-amine
CID 81260551
N-methyl-N-[(4-methylpiperazin-2-yl)methyl]naphthalen-1-amine
CID 115238636
1-(4-methylpiperazin-2-yl)-N-[(2,4,6-trimethylphenyl)methyl]methanamine
CID 115238665

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylpiperazin-2-yl)methyl]naphthalen-2-amine?
The IUPAC name of N-[(4-methylpiperazin-2-yl)methyl]naphthalen-2-amine (CID 115238597) is N-[(4-methylpiperazin-2-yl)methyl]naphthalen-2-amine.
What is the SMILES notation for N-[(4-methylpiperazin-2-yl)methyl]naphthalen-2-amine?
The canonical SMILES for N-[(4-methylpiperazin-2-yl)methyl]naphthalen-2-amine is CN1CCNC(CNc2ccc3ccccc3c2)C1.
What is the InChIKey of N-[(4-methylpiperazin-2-yl)methyl]naphthalen-2-amine?
The InChIKey is GHGLYWYWFUBYOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-19-9-8-17-16(12-19)11-18-15-7-6-13-4-2-3-5-14(13)10-15/h2-7,10,16-18H,8-9,11-12H2,1H3.
What are the key properties of N-[(4-methylpiperazin-2-yl)methyl]naphthalen-2-amine?
N-[(4-methylpiperazin-2-yl)methyl]naphthalen-2-amine has a molecular weight of 255.37 g/mol, XLogP of 2.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylpiperazin-2-yl)methyl]naphthalen-2-amine is sourced from PubChem (CID 115238597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).