6-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-1,2,3,5-tetrahydroazulen-2-amine

C18H28N2 — CID 123927293

IUPAC6-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-1,2,3,5-tetrahydroazulen-2-amine
SMILESCC1=CC=C2CC(NCCC3CCCN3C)CC2=CC1
InChIInChI=1S/C18H28N2/c1-14-5-7-15-12-17(13-16(15)8-6-14)19-10-9-18-4-3-11-20(18)2/h5,7-8,17-19H,3-4,6,9-13H2,1-2H3
InChIKeyZYTXSLDKTDLVDX-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.43
Rot. Bonds4

About 6-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-1,2,3,5-tetrahydroazulen-2-amine

6-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-1,2,3,5-tetrahydroazulen-2-amine (PubChem CID 123927293) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is 6-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-1,2,3,5-tetrahydroazulen-2-amine.

Molecular Properties

Compound Name6-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-1,2,3,5-tetrahydroazulen-2-amine
PubChem CID123927293
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC Name6-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-1,2,3,5-tetrahydroazulen-2-amine
SMILESCC1=CC=C2CC(NCCC3CCCN3C)CC2=CC1
InChIInChI=1S/C18H28N2/c1-14-5-7-15-12-17(13-16(15)8-6-14)19-10-9-18-4-3-11-20(18)2/h5,7-8,17-19H,3-4,6,9-13H2,1-2H3
InChIKeyZYTXSLDKTDLVDX-UHFFFAOYSA-N
XLogP3.43
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-1,2,3,5-tetrahydroazulen-2-amine?
The IUPAC name of 6-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-1,2,3,5-tetrahydroazulen-2-amine (CID 123927293) is 6-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-1,2,3,5-tetrahydroazulen-2-amine.
What is the SMILES notation for 6-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-1,2,3,5-tetrahydroazulen-2-amine?
The canonical SMILES for 6-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-1,2,3,5-tetrahydroazulen-2-amine is CC1=CC=C2CC(NCCC3CCCN3C)CC2=CC1.
What is the InChIKey of 6-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-1,2,3,5-tetrahydroazulen-2-amine?
The InChIKey is ZYTXSLDKTDLVDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-14-5-7-15-12-17(13-16(15)8-6-14)19-10-9-18-4-3-11-20(18)2/h5,7-8,17-19H,3-4,6,9-13H2,1-2H3.
What are the key properties of 6-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-1,2,3,5-tetrahydroazulen-2-amine?
6-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-1,2,3,5-tetrahydroazulen-2-amine has a molecular weight of 272.44 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-1,2,3,5-tetrahydroazulen-2-amine is sourced from PubChem (CID 123927293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).