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

C19H26N2 — CID 63480371

IUPACN-ethyl-2-propyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine
SMILESCCCc1ccc2nc3c(c(NCC)c2c1)CCCCC3
InChIInChI=1S/C19H26N2/c1-3-8-14-11-12-18-16(13-14)19(20-4-2)15-9-6-5-7-10-17(15)21-18/h11-13H,3-10H2,1-2H3,(H,20,21)
InChIKeyGQPOTYXPQKJGSZ-UHFFFAOYSA-N
MW282.43 g/mol
LogP4.89
Rot. Bonds4

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

N-ethyl-2-propyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine (PubChem CID 63480371) has the molecular formula C19H26N2 and a molecular weight of 282.43 g/mol. Its IUPAC name is N-ethyl-2-propyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine.

Molecular Properties

Compound NameN-ethyl-2-propyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine
PubChem CID63480371
Molecular FormulaC19H26N2
Molecular Weight282.43 g/mol
Exact Mass282.21
IUPAC NameN-ethyl-2-propyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine
SMILESCCCc1ccc2nc3c(c(NCC)c2c1)CCCCC3
InChIInChI=1S/C19H26N2/c1-3-8-14-11-12-18-16(13-14)19(20-4-2)15-9-6-5-7-10-17(15)21-18/h11-13H,3-10H2,1-2H3,(H,20,21)
InChIKeyGQPOTYXPQKJGSZ-UHFFFAOYSA-N
XLogP4.89
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-propyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine?
The IUPAC name of N-ethyl-2-propyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine (CID 63480371) is N-ethyl-2-propyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine.
What is the SMILES notation for N-ethyl-2-propyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine?
The canonical SMILES for N-ethyl-2-propyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine is CCCc1ccc2nc3c(c(NCC)c2c1)CCCCC3.
What is the InChIKey of N-ethyl-2-propyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine?
The InChIKey is GQPOTYXPQKJGSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2/c1-3-8-14-11-12-18-16(13-14)19(20-4-2)15-9-6-5-7-10-17(15)21-18/h11-13H,3-10H2,1-2H3,(H,20,21).
What are the key properties of N-ethyl-2-propyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine?
N-ethyl-2-propyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine has a molecular weight of 282.43 g/mol, XLogP of 4.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-propyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine is sourced from PubChem (CID 63480371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).