4-chloro-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-3-amine

C10H13ClN2 — CID 86171458

IUPAC4-chloro-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-3-amine
SMILESNc1cnc2c(c1Cl)CCCCC2
InChIInChI=1S/C10H13ClN2/c11-10-7-4-2-1-3-5-9(7)13-6-8(10)12/h6H,1-5,12H2
InChIKeyLUWGXWRGTQTGNF-UHFFFAOYSA-N
MW196.68 g/mol
LogP2.59
Rot. Bonds

About 4-chloro-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-3-amine

4-chloro-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-3-amine (PubChem CID 86171458) has the molecular formula C10H13ClN2 and a molecular weight of 196.68 g/mol. Its IUPAC name is 4-chloro-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-3-amine.

Molecular Properties

Compound Name4-chloro-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-3-amine
PubChem CID86171458
Molecular FormulaC10H13ClN2
Molecular Weight196.68 g/mol
Exact Mass196.08
IUPAC Name4-chloro-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-3-amine
SMILESNc1cnc2c(c1Cl)CCCCC2
InChIInChI=1S/C10H13ClN2/c11-10-7-4-2-1-3-5-9(7)13-6-8(10)12/h6H,1-5,12H2
InChIKeyLUWGXWRGTQTGNF-UHFFFAOYSA-N
XLogP2.59
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.68
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-3-amine?
The IUPAC name of 4-chloro-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-3-amine (CID 86171458) is 4-chloro-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-3-amine.
What is the SMILES notation for 4-chloro-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-3-amine?
The canonical SMILES for 4-chloro-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-3-amine is Nc1cnc2c(c1Cl)CCCCC2.
What is the InChIKey of 4-chloro-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-3-amine?
The InChIKey is LUWGXWRGTQTGNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2/c11-10-7-4-2-1-3-5-9(7)13-6-8(10)12/h6H,1-5,12H2.
What are the key properties of 4-chloro-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-3-amine?
4-chloro-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-3-amine has a molecular weight of 196.68 g/mol, XLogP of 2.59, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-3-amine is sourced from PubChem (CID 86171458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).