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

C17H23N3 — CID 115238636

IUPACN-methyl-N-[(4-methylpiperazin-2-yl)methyl]naphthalen-1-amine
SMILESCN1CCNC(CN(C)c2cccc3ccccc23)C1
InChIInChI=1S/C17H23N3/c1-19-11-10-18-15(12-19)13-20(2)17-9-5-7-14-6-3-4-8-16(14)17/h3-9,15,18H,10-13H2,1-2H3
InChIKeyCQVJKJZPVLDJQP-UHFFFAOYSA-N
MW269.39 g/mol
LogP2.18
Rot. Bonds3

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

N-methyl-N-[(4-methylpiperazin-2-yl)methyl]naphthalen-1-amine (PubChem CID 115238636) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is N-methyl-N-[(4-methylpiperazin-2-yl)methyl]naphthalen-1-amine.

Molecular Properties

Compound NameN-methyl-N-[(4-methylpiperazin-2-yl)methyl]naphthalen-1-amine
PubChem CID115238636
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC NameN-methyl-N-[(4-methylpiperazin-2-yl)methyl]naphthalen-1-amine
SMILESCN1CCNC(CN(C)c2cccc3ccccc23)C1
InChIInChI=1S/C17H23N3/c1-19-11-10-18-15(12-19)13-20(2)17-9-5-7-14-6-3-4-8-16(14)17/h3-9,15,18H,10-13H2,1-2H3
InChIKeyCQVJKJZPVLDJQP-UHFFFAOYSA-N
XLogP2.18
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 ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-difluoro-N-methyl-N-[(4-methylpiperazin-2-yl)methyl]aniline
CID 115238616
N-[(3-aminocyclobutyl)methyl]-N-methylnaphthalen-1-amine
CID 115214014
N-methyl-N-[(4-methylpiperazin-2-yl)methyl]-2,3-dihydro-1H-inden-5-amine
CID 115238608
N-[(3-bromophenyl)methyl]-N-methyl-1-(4-methylpiperazin-2-yl)methanamine
CID 115238727
N-methyl-1-(4-methylpiperazin-2-yl)-N-(1H-pyrrol-2-ylmethyl)methanamine
CID 115238718
1-methyl-3-(2-phenylethyl)piperazine
CID 82470032
N-methyl-N-[2-(4-methylpiperazin-2-yl)ethyl]pyridin-3-amine
CID 115239388
N-[(4-chlorophenyl)methyl]-N-methyl-1-(4-methylpiperazin-2-yl)methanamine
CID 115238709
2-[2-(4-methylpiperazin-2-yl)ethyl]-1,3-dihydroisoindole
CID 117029756
N-[(4-methylpiperazin-2-yl)methyl]naphthalen-2-amine
CID 115238597
7-methyl-3-[(4-methylpiperazin-2-yl)methyl]-1H-indole
CID 84630932
N-[(3,4-dimethylphenyl)methyl]-N-methyl-1-(4-methylpiperazin-2-yl)methanamine
CID 115238706

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(4-methylpiperazin-2-yl)methyl]naphthalen-1-amine?
The IUPAC name of N-methyl-N-[(4-methylpiperazin-2-yl)methyl]naphthalen-1-amine (CID 115238636) is N-methyl-N-[(4-methylpiperazin-2-yl)methyl]naphthalen-1-amine.
What is the SMILES notation for N-methyl-N-[(4-methylpiperazin-2-yl)methyl]naphthalen-1-amine?
The canonical SMILES for N-methyl-N-[(4-methylpiperazin-2-yl)methyl]naphthalen-1-amine is CN1CCNC(CN(C)c2cccc3ccccc23)C1.
What is the InChIKey of N-methyl-N-[(4-methylpiperazin-2-yl)methyl]naphthalen-1-amine?
The InChIKey is CQVJKJZPVLDJQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-19-11-10-18-15(12-19)13-20(2)17-9-5-7-14-6-3-4-8-16(14)17/h3-9,15,18H,10-13H2,1-2H3.
What are the key properties of N-methyl-N-[(4-methylpiperazin-2-yl)methyl]naphthalen-1-amine?
N-methyl-N-[(4-methylpiperazin-2-yl)methyl]naphthalen-1-amine has a molecular weight of 269.39 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(4-methylpiperazin-2-yl)methyl]naphthalen-1-amine is sourced from PubChem (CID 115238636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).