(6-methylnaphthalen-2-yl)-(4-methylpiperazin-2-yl)methanamine

C17H23N3 — CID 116941438

IUPAC(6-methylnaphthalen-2-yl)-(4-methylpiperazin-2-yl)methanamine
SMILESCc1ccc2cc(C(N)C3CN(C)CCN3)ccc2c1
InChIInChI=1S/C17H23N3/c1-12-3-4-14-10-15(6-5-13(14)9-12)17(18)16-11-20(2)8-7-19-16/h3-6,9-10,16-17,19H,7-8,11,18H2,1-2H3
InChIKeyYBWJOSACHQGMEE-UHFFFAOYSA-N
MW269.39 g/mol
LogP2.05
Rot. Bonds2

About (6-methylnaphthalen-2-yl)-(4-methylpiperazin-2-yl)methanamine

(6-methylnaphthalen-2-yl)-(4-methylpiperazin-2-yl)methanamine (PubChem CID 116941438) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is (6-methylnaphthalen-2-yl)-(4-methylpiperazin-2-yl)methanamine.

Molecular Properties

Compound Name(6-methylnaphthalen-2-yl)-(4-methylpiperazin-2-yl)methanamine
PubChem CID116941438
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name(6-methylnaphthalen-2-yl)-(4-methylpiperazin-2-yl)methanamine
SMILESCc1ccc2cc(C(N)C3CN(C)CCN3)ccc2c1
InChIInChI=1S/C17H23N3/c1-12-3-4-14-10-15(6-5-13(14)9-12)17(18)16-11-20(2)8-7-19-16/h3-6,9-10,16-17,19H,7-8,11,18H2,1-2H3
InChIKeyYBWJOSACHQGMEE-UHFFFAOYSA-N
XLogP2.05
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methylphenyl)-(4-methylpiperazin-2-yl)methanamine
CID 116941344
(3,4-dimethylphenyl)-(4-methylpiperazin-2-yl)methanamine
CID 116941348
(2-methyl-3H-benzimidazol-5-yl)-(4-methylpiperazin-2-yl)methanamine
CID 116941411
(2,5-difluorophenyl)-(4-methylpiperazin-2-yl)methanamine
CID 116941381
3-[amino-(6-methylnaphthalen-2-yl)methyl]cyclobutan-1-amine
CID 116937429
(4-methoxy-2,3-dimethylphenyl)-(4-methylpiperazin-2-yl)methanamine
CID 116941397
1-(4-methylpiperazin-2-yl)ethanamine
CID 116941341
N-methyl-1-(6-methylnaphthalen-2-yl)-1-pyrrolidin-2-ylmethanamine
CID 116950987
1-(6-methylnaphthalen-2-yl)-2-pyrrolidin-2-ylethanamine
CID 116936059
2-[amino-(6-methylnaphthalen-2-yl)methyl]cyclopropane-1-carboxylic acid
CID 116938681
3-(2,5-dimethylphenyl)sulfanyl-1-methylpiperazine
CID 117034300
morpholin-3-yl(naphthalen-2-yl)methanamine
CID 116941220

Frequently Asked Questions

What is the IUPAC name of (6-methylnaphthalen-2-yl)-(4-methylpiperazin-2-yl)methanamine?
The IUPAC name of (6-methylnaphthalen-2-yl)-(4-methylpiperazin-2-yl)methanamine (CID 116941438) is (6-methylnaphthalen-2-yl)-(4-methylpiperazin-2-yl)methanamine.
What is the SMILES notation for (6-methylnaphthalen-2-yl)-(4-methylpiperazin-2-yl)methanamine?
The canonical SMILES for (6-methylnaphthalen-2-yl)-(4-methylpiperazin-2-yl)methanamine is Cc1ccc2cc(C(N)C3CN(C)CCN3)ccc2c1.
What is the InChIKey of (6-methylnaphthalen-2-yl)-(4-methylpiperazin-2-yl)methanamine?
The InChIKey is YBWJOSACHQGMEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-12-3-4-14-10-15(6-5-13(14)9-12)17(18)16-11-20(2)8-7-19-16/h3-6,9-10,16-17,19H,7-8,11,18H2,1-2H3.
What are the key properties of (6-methylnaphthalen-2-yl)-(4-methylpiperazin-2-yl)methanamine?
(6-methylnaphthalen-2-yl)-(4-methylpiperazin-2-yl)methanamine has a molecular weight of 269.39 g/mol, XLogP of 2.05, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methylnaphthalen-2-yl)-(4-methylpiperazin-2-yl)methanamine is sourced from PubChem (CID 116941438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).