5-methyl-1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)piperidin-3-amine

C17H26N2 — CID 79987341

IUPAC5-methyl-1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)piperidin-3-amine
SMILESCC1CC(N)CN(C2CCCCc3ccccc32)C1
InChIInChI=1S/C17H26N2/c1-13-10-15(18)12-19(11-13)17-9-5-3-7-14-6-2-4-8-16(14)17/h2,4,6,8,13,15,17H,3,5,7,9-12,18H2,1H3
InChIKeyKLLBNUQAYQGXOV-UHFFFAOYSA-N
MW258.41 g/mol
LogP3.12
Rot. Bonds1

About 5-methyl-1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)piperidin-3-amine

5-methyl-1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)piperidin-3-amine (PubChem CID 79987341) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 5-methyl-1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)piperidin-3-amine.

Molecular Properties

Compound Name5-methyl-1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)piperidin-3-amine
PubChem CID79987341
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name5-methyl-1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)piperidin-3-amine
SMILESCC1CC(N)CN(C2CCCCc3ccccc32)C1
InChIInChI=1S/C17H26N2/c1-13-10-15(18)12-19(11-13)17-9-5-3-7-14-6-2-4-8-16(14)17/h2,4,6,8,13,15,17H,3,5,7,9-12,18H2,1H3
InChIKeyKLLBNUQAYQGXOV-UHFFFAOYSA-N
XLogP3.12
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)piperidin-3-amine?
The IUPAC name of 5-methyl-1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)piperidin-3-amine (CID 79987341) is 5-methyl-1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)piperidin-3-amine.
What is the SMILES notation for 5-methyl-1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)piperidin-3-amine?
The canonical SMILES for 5-methyl-1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)piperidin-3-amine is CC1CC(N)CN(C2CCCCc3ccccc32)C1.
What is the InChIKey of 5-methyl-1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)piperidin-3-amine?
The InChIKey is KLLBNUQAYQGXOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-13-10-15(18)12-19(11-13)17-9-5-3-7-14-6-2-4-8-16(14)17/h2,4,6,8,13,15,17H,3,5,7,9-12,18H2,1H3.
What are the key properties of 5-methyl-1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)piperidin-3-amine?
5-methyl-1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)piperidin-3-amine has a molecular weight of 258.41 g/mol, XLogP of 3.12, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)piperidin-3-amine is sourced from PubChem (CID 79987341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).