2,3,4,7-tetrahydro-1H-cyclohepta[b]quinolin-11-amine

C14H16N2 — CID 145370953

IUPAC2,3,4,7-tetrahydro-1H-cyclohepta[b]quinolin-11-amine
SMILESNc1c2c(nc3c1=CC=CCC=3)CCCC2
InChIInChI=1S/C14H16N2/c15-14-10-6-2-1-3-8-12(10)16-13-9-5-4-7-11(13)14/h1-2,6,8H,3-5,7,9,15H2
InChIKeyUNWIWZXHDWBVMK-UHFFFAOYSA-N
MW212.30 g/mol
LogP1.06
Rot. Bonds

About 2,3,4,7-tetrahydro-1H-cyclohepta[b]quinolin-11-amine

2,3,4,7-tetrahydro-1H-cyclohepta[b]quinolin-11-amine (PubChem CID 145370953) has the molecular formula C14H16N2 and a molecular weight of 212.30 g/mol. Its IUPAC name is 2,3,4,7-tetrahydro-1H-cyclohepta[b]quinolin-11-amine.

Molecular Properties

Compound Name2,3,4,7-tetrahydro-1H-cyclohepta[b]quinolin-11-amine
PubChem CID145370953
Molecular FormulaC14H16N2
Molecular Weight212.30 g/mol
Exact Mass212.13
IUPAC Name2,3,4,7-tetrahydro-1H-cyclohepta[b]quinolin-11-amine
SMILESNc1c2c(nc3c1=CC=CCC=3)CCCC2
InChIInChI=1S/C14H16N2/c15-14-10-6-2-1-3-8-12(10)16-13-9-5-4-7-11(13)14/h1-2,6,8H,3-5,7,9,15H2
InChIKeyUNWIWZXHDWBVMK-UHFFFAOYSA-N
XLogP1.06
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,7-tetrahydro-1H-cyclohepta[b]quinolin-11-amine?
The IUPAC name of 2,3,4,7-tetrahydro-1H-cyclohepta[b]quinolin-11-amine (CID 145370953) is 2,3,4,7-tetrahydro-1H-cyclohepta[b]quinolin-11-amine.
What is the SMILES notation for 2,3,4,7-tetrahydro-1H-cyclohepta[b]quinolin-11-amine?
The canonical SMILES for 2,3,4,7-tetrahydro-1H-cyclohepta[b]quinolin-11-amine is Nc1c2c(nc3c1=CC=CCC=3)CCCC2.
What is the InChIKey of 2,3,4,7-tetrahydro-1H-cyclohepta[b]quinolin-11-amine?
The InChIKey is UNWIWZXHDWBVMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2/c15-14-10-6-2-1-3-8-12(10)16-13-9-5-4-7-11(13)14/h1-2,6,8H,3-5,7,9,15H2.
What are the key properties of 2,3,4,7-tetrahydro-1H-cyclohepta[b]quinolin-11-amine?
2,3,4,7-tetrahydro-1H-cyclohepta[b]quinolin-11-amine has a molecular weight of 212.30 g/mol, XLogP of 1.06, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,7-tetrahydro-1H-cyclohepta[b]quinolin-11-amine is sourced from PubChem (CID 145370953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).