1-[1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)-3-methylcyclohexyl]-N-methylmethanamine

C18H34N2 — CID 82751322

IUPAC1-[1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)-3-methylcyclohexyl]-N-methylmethanamine
SMILESCNCC1(CN2CCC3CCCCC32)CCCC(C)C1
InChIInChI=1S/C18H34N2/c1-15-6-5-10-18(12-15,13-19-2)14-20-11-9-16-7-3-4-8-17(16)20/h15-17,19H,3-14H2,1-2H3
InChIKeyVSUVPUFLTBSJQF-UHFFFAOYSA-N
MW278.48 g/mol
LogP3.67
Rot. Bonds4

About 1-[1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)-3-methylcyclohexyl]-N-methylmethanamine

1-[1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)-3-methylcyclohexyl]-N-methylmethanamine (PubChem CID 82751322) has the molecular formula C18H34N2 and a molecular weight of 278.48 g/mol. Its IUPAC name is 1-[1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)-3-methylcyclohexyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)-3-methylcyclohexyl]-N-methylmethanamine
PubChem CID82751322
Molecular FormulaC18H34N2
Molecular Weight278.48 g/mol
Exact Mass278.27
IUPAC Name1-[1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)-3-methylcyclohexyl]-N-methylmethanamine
SMILESCNCC1(CN2CCC3CCCCC32)CCCC(C)C1
InChIInChI=1S/C18H34N2/c1-15-6-5-10-18(12-15,13-19-2)14-20-11-9-16-7-3-4-8-17(16)20/h15-17,19H,3-14H2,1-2H3
InChIKeyVSUVPUFLTBSJQF-UHFFFAOYSA-N
XLogP3.67
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.48
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)-3-methylcyclohexyl]-N-methylmethanamine?
The IUPAC name of 1-[1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)-3-methylcyclohexyl]-N-methylmethanamine (CID 82751322) is 1-[1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)-3-methylcyclohexyl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)-3-methylcyclohexyl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)-3-methylcyclohexyl]-N-methylmethanamine is CNCC1(CN2CCC3CCCCC32)CCCC(C)C1.
What is the InChIKey of 1-[1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)-3-methylcyclohexyl]-N-methylmethanamine?
The InChIKey is VSUVPUFLTBSJQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2/c1-15-6-5-10-18(12-15,13-19-2)14-20-11-9-16-7-3-4-8-17(16)20/h15-17,19H,3-14H2,1-2H3.
What are the key properties of 1-[1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)-3-methylcyclohexyl]-N-methylmethanamine?
1-[1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)-3-methylcyclohexyl]-N-methylmethanamine has a molecular weight of 278.48 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)-3-methylcyclohexyl]-N-methylmethanamine is sourced from PubChem (CID 82751322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).