N-methyl-6H-cyclohepta[c]pyridin-1-amine

C11H12N2 — CID 143869398

IUPACN-methyl-6H-cyclohepta[c]pyridin-1-amine
SMILESCNc1nccc2c1=CC=CCC=2
InChIInChI=1S/C11H12N2/c1-12-11-10-6-4-2-3-5-9(10)7-8-13-11/h2,4-8H,3H2,1H3,(H,12,13)
InChIKeyIERKCMDDJWRMIM-UHFFFAOYSA-N
MW172.23 g/mol
LogP0.64
Rot. Bonds1

About N-methyl-6H-cyclohepta[c]pyridin-1-amine

N-methyl-6H-cyclohepta[c]pyridin-1-amine (PubChem CID 143869398) has the molecular formula C11H12N2 and a molecular weight of 172.23 g/mol. Its IUPAC name is N-methyl-6H-cyclohepta[c]pyridin-1-amine.

Molecular Properties

Compound NameN-methyl-6H-cyclohepta[c]pyridin-1-amine
PubChem CID143869398
Molecular FormulaC11H12N2
Molecular Weight172.23 g/mol
Exact Mass172.10
IUPAC NameN-methyl-6H-cyclohepta[c]pyridin-1-amine
SMILESCNc1nccc2c1=CC=CCC=2
InChIInChI=1S/C11H12N2/c1-12-11-10-6-4-2-3-5-9(10)7-8-13-11/h2,4-8H,3H2,1H3,(H,12,13)
InChIKeyIERKCMDDJWRMIM-UHFFFAOYSA-N
XLogP0.64
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-6H-cyclohepta[c]pyridin-1-amine?
The IUPAC name of N-methyl-6H-cyclohepta[c]pyridin-1-amine (CID 143869398) is N-methyl-6H-cyclohepta[c]pyridin-1-amine.
What is the SMILES notation for N-methyl-6H-cyclohepta[c]pyridin-1-amine?
The canonical SMILES for N-methyl-6H-cyclohepta[c]pyridin-1-amine is CNc1nccc2c1=CC=CCC=2.
What is the InChIKey of N-methyl-6H-cyclohepta[c]pyridin-1-amine?
The InChIKey is IERKCMDDJWRMIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2/c1-12-11-10-6-4-2-3-5-9(10)7-8-13-11/h2,4-8H,3H2,1H3,(H,12,13).
What are the key properties of N-methyl-6H-cyclohepta[c]pyridin-1-amine?
N-methyl-6H-cyclohepta[c]pyridin-1-amine has a molecular weight of 172.23 g/mol, XLogP of 0.64, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6H-cyclohepta[c]pyridin-1-amine is sourced from PubChem (CID 143869398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).