N,2-diethyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine

C18H24N2 — CID 63480907

IUPACN,2-diethyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine
SMILESCCNc1c2c(nc3ccc(CC)cc13)CCCCC2
InChIInChI=1S/C18H24N2/c1-3-13-10-11-17-15(12-13)18(19-4-2)14-8-6-5-7-9-16(14)20-17/h10-12H,3-9H2,1-2H3,(H,19,20)
InChIKeyUONDCYNCLMOWFW-UHFFFAOYSA-N
MW268.40 g/mol
LogP4.50
Rot. Bonds3

About N,2-diethyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine

N,2-diethyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine (PubChem CID 63480907) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is N,2-diethyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine.

Molecular Properties

Compound NameN,2-diethyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine
PubChem CID63480907
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC NameN,2-diethyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine
SMILESCCNc1c2c(nc3ccc(CC)cc13)CCCCC2
InChIInChI=1S/C18H24N2/c1-3-13-10-11-17-15(12-13)18(19-4-2)14-8-6-5-7-9-16(14)20-17/h10-12H,3-9H2,1-2H3,(H,19,20)
InChIKeyUONDCYNCLMOWFW-UHFFFAOYSA-N
XLogP4.50
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,2-diethyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine?
The IUPAC name of N,2-diethyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine (CID 63480907) is N,2-diethyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine.
What is the SMILES notation for N,2-diethyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine?
The canonical SMILES for N,2-diethyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine is CCNc1c2c(nc3ccc(CC)cc13)CCCCC2.
What is the InChIKey of N,2-diethyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine?
The InChIKey is UONDCYNCLMOWFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2/c1-3-13-10-11-17-15(12-13)18(19-4-2)14-8-6-5-7-9-16(14)20-17/h10-12H,3-9H2,1-2H3,(H,19,20).
What are the key properties of N,2-diethyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine?
N,2-diethyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine has a molecular weight of 268.40 g/mol, XLogP of 4.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-diethyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine is sourced from PubChem (CID 63480907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).