6-methyl-N-(2-pyrrolidin-2-ylethyl)-1,2,3,5-tetrahydroazulen-2-amine

C17H26N2 — CID 134382976

IUPAC6-methyl-N-(2-pyrrolidin-2-ylethyl)-1,2,3,5-tetrahydroazulen-2-amine
SMILESCC1=CC=C2CC(NCCC3CCCN3)CC2=CC1
InChIInChI=1S/C17H26N2/c1-13-4-6-14-11-17(12-15(14)7-5-13)19-10-8-16-3-2-9-18-16/h4,6-7,16-19H,2-3,5,8-12H2,1H3
InChIKeyOWNHVFXMVUOMRZ-UHFFFAOYSA-N
MW258.41 g/mol
LogP3.08
Rot. Bonds4

About 6-methyl-N-(2-pyrrolidin-2-ylethyl)-1,2,3,5-tetrahydroazulen-2-amine

6-methyl-N-(2-pyrrolidin-2-ylethyl)-1,2,3,5-tetrahydroazulen-2-amine (PubChem CID 134382976) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 6-methyl-N-(2-pyrrolidin-2-ylethyl)-1,2,3,5-tetrahydroazulen-2-amine.

Molecular Properties

Compound Name6-methyl-N-(2-pyrrolidin-2-ylethyl)-1,2,3,5-tetrahydroazulen-2-amine
PubChem CID134382976
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name6-methyl-N-(2-pyrrolidin-2-ylethyl)-1,2,3,5-tetrahydroazulen-2-amine
SMILESCC1=CC=C2CC(NCCC3CCCN3)CC2=CC1
InChIInChI=1S/C17H26N2/c1-13-4-6-14-11-17(12-15(14)7-5-13)19-10-8-16-3-2-9-18-16/h4,6-7,16-19H,2-3,5,8-12H2,1H3
InChIKeyOWNHVFXMVUOMRZ-UHFFFAOYSA-N
XLogP3.08
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(2-pyrrolidin-2-ylethyl)-1,2,3,5-tetrahydroazulen-2-amine?
The IUPAC name of 6-methyl-N-(2-pyrrolidin-2-ylethyl)-1,2,3,5-tetrahydroazulen-2-amine (CID 134382976) is 6-methyl-N-(2-pyrrolidin-2-ylethyl)-1,2,3,5-tetrahydroazulen-2-amine.
What is the SMILES notation for 6-methyl-N-(2-pyrrolidin-2-ylethyl)-1,2,3,5-tetrahydroazulen-2-amine?
The canonical SMILES for 6-methyl-N-(2-pyrrolidin-2-ylethyl)-1,2,3,5-tetrahydroazulen-2-amine is CC1=CC=C2CC(NCCC3CCCN3)CC2=CC1.
What is the InChIKey of 6-methyl-N-(2-pyrrolidin-2-ylethyl)-1,2,3,5-tetrahydroazulen-2-amine?
The InChIKey is OWNHVFXMVUOMRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-13-4-6-14-11-17(12-15(14)7-5-13)19-10-8-16-3-2-9-18-16/h4,6-7,16-19H,2-3,5,8-12H2,1H3.
What are the key properties of 6-methyl-N-(2-pyrrolidin-2-ylethyl)-1,2,3,5-tetrahydroazulen-2-amine?
6-methyl-N-(2-pyrrolidin-2-ylethyl)-1,2,3,5-tetrahydroazulen-2-amine has a molecular weight of 258.41 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(2-pyrrolidin-2-ylethyl)-1,2,3,5-tetrahydroazulen-2-amine is sourced from PubChem (CID 134382976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).