3-quinolin-3-ylcyclohept-2-en-1-amine

C16H18N2 — CID 107383271

IUPAC3-quinolin-3-ylcyclohept-2-en-1-amine
SMILESNC1C=C(c2cnc3ccccc3c2)CCCC1
InChIInChI=1S/C16H18N2/c17-15-7-3-1-5-12(10-15)14-9-13-6-2-4-8-16(13)18-11-14/h2,4,6,8-11,15H,1,3,5,7,17H2
InChIKeyOHUCLDDCFMEXDT-UHFFFAOYSA-N
MW238.33 g/mol
LogP3.52
Rot. Bonds1

About 3-quinolin-3-ylcyclohept-2-en-1-amine

3-quinolin-3-ylcyclohept-2-en-1-amine (PubChem CID 107383271) has the molecular formula C16H18N2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 3-quinolin-3-ylcyclohept-2-en-1-amine.

Molecular Properties

Compound Name3-quinolin-3-ylcyclohept-2-en-1-amine
PubChem CID107383271
Molecular FormulaC16H18N2
Molecular Weight238.33 g/mol
Exact Mass238.15
IUPAC Name3-quinolin-3-ylcyclohept-2-en-1-amine
SMILESNC1C=C(c2cnc3ccccc3c2)CCCC1
InChIInChI=1S/C16H18N2/c17-15-7-3-1-5-12(10-15)14-9-13-6-2-4-8-16(13)18-11-14/h2,4,6,8-11,15H,1,3,5,7,17H2
InChIKeyOHUCLDDCFMEXDT-UHFFFAOYSA-N
XLogP3.52
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-quinolin-3-ylcyclohept-2-en-1-amine?
The IUPAC name of 3-quinolin-3-ylcyclohept-2-en-1-amine (CID 107383271) is 3-quinolin-3-ylcyclohept-2-en-1-amine.
What is the SMILES notation for 3-quinolin-3-ylcyclohept-2-en-1-amine?
The canonical SMILES for 3-quinolin-3-ylcyclohept-2-en-1-amine is NC1C=C(c2cnc3ccccc3c2)CCCC1.
What is the InChIKey of 3-quinolin-3-ylcyclohept-2-en-1-amine?
The InChIKey is OHUCLDDCFMEXDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2/c17-15-7-3-1-5-12(10-15)14-9-13-6-2-4-8-16(13)18-11-14/h2,4,6,8-11,15H,1,3,5,7,17H2.
What are the key properties of 3-quinolin-3-ylcyclohept-2-en-1-amine?
3-quinolin-3-ylcyclohept-2-en-1-amine has a molecular weight of 238.33 g/mol, XLogP of 3.52, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-quinolin-3-ylcyclohept-2-en-1-amine is sourced from PubChem (CID 107383271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).