1,3,5-trimethyl-N-(pyridin-2-ylmethyl)bicyclo[4.1.0]hepta-2,4-dien-2-amine

C16H20N2 — CID 142237494

IUPAC1,3,5-trimethyl-N-(pyridin-2-ylmethyl)bicyclo[4.1.0]hepta-2,4-dien-2-amine
SMILESCC1=CC(C)=C(NCc2ccccn2)C2(C)CC12
InChIInChI=1S/C16H20N2/c1-11-8-12(2)15(16(3)9-14(11)16)18-10-13-6-4-5-7-17-13/h4-8,14,18H,9-10H2,1-3H3
InChIKeyAVFNHLAFZVRGOW-UHFFFAOYSA-N
MW240.35 g/mol
LogP3.43
Rot. Bonds3

About 1,3,5-trimethyl-N-(pyridin-2-ylmethyl)bicyclo[4.1.0]hepta-2,4-dien-2-amine

1,3,5-trimethyl-N-(pyridin-2-ylmethyl)bicyclo[4.1.0]hepta-2,4-dien-2-amine (PubChem CID 142237494) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 1,3,5-trimethyl-N-(pyridin-2-ylmethyl)bicyclo[4.1.0]hepta-2,4-dien-2-amine.

Molecular Properties

Compound Name1,3,5-trimethyl-N-(pyridin-2-ylmethyl)bicyclo[4.1.0]hepta-2,4-dien-2-amine
PubChem CID142237494
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC Name1,3,5-trimethyl-N-(pyridin-2-ylmethyl)bicyclo[4.1.0]hepta-2,4-dien-2-amine
SMILESCC1=CC(C)=C(NCc2ccccn2)C2(C)CC12
InChIInChI=1S/C16H20N2/c1-11-8-12(2)15(16(3)9-14(11)16)18-10-13-6-4-5-7-17-13/h4-8,14,18H,9-10H2,1-3H3
InChIKeyAVFNHLAFZVRGOW-UHFFFAOYSA-N
XLogP3.43
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethyl-N-(pyridin-2-ylmethyl)bicyclo[4.1.0]hepta-2,4-dien-2-amine?
The IUPAC name of 1,3,5-trimethyl-N-(pyridin-2-ylmethyl)bicyclo[4.1.0]hepta-2,4-dien-2-amine (CID 142237494) is 1,3,5-trimethyl-N-(pyridin-2-ylmethyl)bicyclo[4.1.0]hepta-2,4-dien-2-amine.
What is the SMILES notation for 1,3,5-trimethyl-N-(pyridin-2-ylmethyl)bicyclo[4.1.0]hepta-2,4-dien-2-amine?
The canonical SMILES for 1,3,5-trimethyl-N-(pyridin-2-ylmethyl)bicyclo[4.1.0]hepta-2,4-dien-2-amine is CC1=CC(C)=C(NCc2ccccn2)C2(C)CC12.
What is the InChIKey of 1,3,5-trimethyl-N-(pyridin-2-ylmethyl)bicyclo[4.1.0]hepta-2,4-dien-2-amine?
The InChIKey is AVFNHLAFZVRGOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2/c1-11-8-12(2)15(16(3)9-14(11)16)18-10-13-6-4-5-7-17-13/h4-8,14,18H,9-10H2,1-3H3.
What are the key properties of 1,3,5-trimethyl-N-(pyridin-2-ylmethyl)bicyclo[4.1.0]hepta-2,4-dien-2-amine?
1,3,5-trimethyl-N-(pyridin-2-ylmethyl)bicyclo[4.1.0]hepta-2,4-dien-2-amine has a molecular weight of 240.35 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trimethyl-N-(pyridin-2-ylmethyl)bicyclo[4.1.0]hepta-2,4-dien-2-amine is sourced from PubChem (CID 142237494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).