6-(4-methylpiperazin-1-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine

C16H25N3 — CID 16783923

IUPAC6-(4-methylpiperazin-1-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
SMILESCN1CCN(C2CCCc3ccccc3C2N)CC1
InChIInChI=1S/C16H25N3/c1-18-9-11-19(12-10-18)15-8-4-6-13-5-2-3-7-14(13)16(15)17/h2-3,5,7,15-16H,4,6,8-12,17H2,1H3
InChIKeyPOARJSYZYFJCBW-UHFFFAOYSA-N
MW259.40 g/mol
LogP1.64
Rot. Bonds1

About 6-(4-methylpiperazin-1-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine

6-(4-methylpiperazin-1-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine (PubChem CID 16783923) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is 6-(4-methylpiperazin-1-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine.

Molecular Properties

Compound Name6-(4-methylpiperazin-1-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
PubChem CID16783923
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC Name6-(4-methylpiperazin-1-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
SMILESCN1CCN(C2CCCc3ccccc3C2N)CC1
InChIInChI=1S/C16H25N3/c1-18-9-11-19(12-10-18)15-8-4-6-13-5-2-3-7-14(13)16(15)17/h2-3,5,7,15-16H,4,6,8-12,17H2,1H3
InChIKeyPOARJSYZYFJCBW-UHFFFAOYSA-N
XLogP1.64
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 ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(3,4-dimethoxypyrrolidin-1-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 103532534
2-(4,4-dimethylazepan-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 65281364
6-(2,2-dimethylpyrrolidin-1-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 63219890
2-(1,3-dihydroisoindol-2-yl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 62204652
(11S,11aS)-2,3,4,6,11,11a-hexahydro-1H-benzo[b]quinolizin-11-amine
CID 54082330
2-(4-propylpiperidin-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 62200551
5-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-ol
CID 13125681
1-methyl-4-[7-(4-phenylphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]piperazine
CID 11660943
6-(benzimidazol-1-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 16783124
1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine
CID 122364481
(5S)-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-5-amine
CID 141299186
2-[4-(1,2,3,4-tetrahydronaphthalen-1-yl)piperazin-1-yl]ethanamine
CID 10515461

Frequently Asked Questions

What is the IUPAC name of 6-(4-methylpiperazin-1-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine?
The IUPAC name of 6-(4-methylpiperazin-1-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine (CID 16783923) is 6-(4-methylpiperazin-1-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine.
What is the SMILES notation for 6-(4-methylpiperazin-1-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine?
The canonical SMILES for 6-(4-methylpiperazin-1-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine is CN1CCN(C2CCCc3ccccc3C2N)CC1.
What is the InChIKey of 6-(4-methylpiperazin-1-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine?
The InChIKey is POARJSYZYFJCBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-18-9-11-19(12-10-18)15-8-4-6-13-5-2-3-7-14(13)16(15)17/h2-3,5,7,15-16H,4,6,8-12,17H2,1H3.
What are the key properties of 6-(4-methylpiperazin-1-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine?
6-(4-methylpiperazin-1-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine has a molecular weight of 259.40 g/mol, XLogP of 1.64, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylpiperazin-1-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine is sourced from PubChem (CID 16783923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).