N-cyclohepta-1,3,6-trien-1-ylnaphthalen-2-amine;ethane

C19H21N — CID 145265072

IUPACN-cyclohepta-1,3,6-trien-1-ylnaphthalen-2-amine;ethane
SMILESC1=CCC=CC(Nc2ccc3ccccc3c2)=C1.CC
InChIInChI=1S/C17H15N.C2H6/c1-2-4-10-16(9-3-1)18-17-12-11-14-7-5-6-8-15(14)13-17;1-2/h1,3-13,18H,2H2;1-2H3
InChIKeyYTWJZDYTIFYIQO-UHFFFAOYSA-N
MW263.38 g/mol
LogP5.68
Rot. Bonds2

About N-cyclohepta-1,3,6-trien-1-ylnaphthalen-2-amine;ethane

N-cyclohepta-1,3,6-trien-1-ylnaphthalen-2-amine;ethane (PubChem CID 145265072) has the molecular formula C19H21N and a molecular weight of 263.38 g/mol. Its IUPAC name is N-cyclohepta-1,3,6-trien-1-ylnaphthalen-2-amine;ethane.

Molecular Properties

Compound NameN-cyclohepta-1,3,6-trien-1-ylnaphthalen-2-amine;ethane
PubChem CID145265072
Molecular FormulaC19H21N
Molecular Weight263.38 g/mol
Exact Mass263.17
IUPAC NameN-cyclohepta-1,3,6-trien-1-ylnaphthalen-2-amine;ethane
SMILESC1=CCC=CC(Nc2ccc3ccccc3c2)=C1.CC
InChIInChI=1S/C17H15N.C2H6/c1-2-4-10-16(9-3-1)18-17-12-11-14-7-5-6-8-15(14)13-17;1-2/h1,3-13,18H,2H2;1-2H3
InChIKeyYTWJZDYTIFYIQO-UHFFFAOYSA-N
XLogP5.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500263.38
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-cyclohepta-1,3,6-trien-1-ylnaphthalen-2-amine;ethane?
The IUPAC name of N-cyclohepta-1,3,6-trien-1-ylnaphthalen-2-amine;ethane (CID 145265072) is N-cyclohepta-1,3,6-trien-1-ylnaphthalen-2-amine;ethane.
What is the SMILES notation for N-cyclohepta-1,3,6-trien-1-ylnaphthalen-2-amine;ethane?
The canonical SMILES for N-cyclohepta-1,3,6-trien-1-ylnaphthalen-2-amine;ethane is C1=CCC=CC(Nc2ccc3ccccc3c2)=C1.CC.
What is the InChIKey of N-cyclohepta-1,3,6-trien-1-ylnaphthalen-2-amine;ethane?
The InChIKey is YTWJZDYTIFYIQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N.C2H6/c1-2-4-10-16(9-3-1)18-17-12-11-14-7-5-6-8-15(14)13-17;1-2/h1,3-13,18H,2H2;1-2H3.
What are the key properties of N-cyclohepta-1,3,6-trien-1-ylnaphthalen-2-amine;ethane?
N-cyclohepta-1,3,6-trien-1-ylnaphthalen-2-amine;ethane has a molecular weight of 263.38 g/mol, XLogP of 5.68, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohepta-1,3,6-trien-1-ylnaphthalen-2-amine;ethane is sourced from PubChem (CID 145265072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).