N-methyl-3,4-dihydro-2H-cyclohepta[b]pyran-2-amine

C11H13NO — CID 138714787

IUPACN-methyl-3,4-dihydro-2H-cyclohepta[b]pyran-2-amine
SMILESCNC1CCC2=CC=C=CC=C2O1
InChIInChI=1S/C11H13NO/c1-12-11-8-7-9-5-3-2-4-6-10(9)13-11/h3-6,11-12H,7-8H2,1H3
InChIKeyBEIJFTWRAQORIN-UHFFFAOYSA-N
MW175.23 g/mol
LogP1.88
Rot. Bonds1

About N-methyl-3,4-dihydro-2H-cyclohepta[b]pyran-2-amine

N-methyl-3,4-dihydro-2H-cyclohepta[b]pyran-2-amine (PubChem CID 138714787) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is N-methyl-3,4-dihydro-2H-cyclohepta[b]pyran-2-amine.

Molecular Properties

Compound NameN-methyl-3,4-dihydro-2H-cyclohepta[b]pyran-2-amine
PubChem CID138714787
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC NameN-methyl-3,4-dihydro-2H-cyclohepta[b]pyran-2-amine
SMILESCNC1CCC2=CC=C=CC=C2O1
InChIInChI=1S/C11H13NO/c1-12-11-8-7-9-5-3-2-4-6-10(9)13-11/h3-6,11-12H,7-8H2,1H3
InChIKeyBEIJFTWRAQORIN-UHFFFAOYSA-N
XLogP1.88
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 70348175
N-methyl-3,4,6,7-tetrahydro-2H-chromen-2-amine
CID 130319349
4-[2-(6-Methylcyclohexa-1,5-dien-1-yl)oxyethyl]piperidine
CID 144067829
4-(4,6-dimethyl-2H-pyran-2-yl)-N-methylbutan-1-amine;molecular hydrogen
CID 177319857
4-(4,6-dimethyl-2H-pyran-2-yl)-N-methylbutan-1-amine
CID 177319858

Frequently Asked Questions

What is the IUPAC name of N-methyl-3,4-dihydro-2H-cyclohepta[b]pyran-2-amine?
The IUPAC name of N-methyl-3,4-dihydro-2H-cyclohepta[b]pyran-2-amine (CID 138714787) is N-methyl-3,4-dihydro-2H-cyclohepta[b]pyran-2-amine.
What is the SMILES notation for N-methyl-3,4-dihydro-2H-cyclohepta[b]pyran-2-amine?
The canonical SMILES for N-methyl-3,4-dihydro-2H-cyclohepta[b]pyran-2-amine is CNC1CCC2=CC=C=CC=C2O1.
What is the InChIKey of N-methyl-3,4-dihydro-2H-cyclohepta[b]pyran-2-amine?
The InChIKey is BEIJFTWRAQORIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c1-12-11-8-7-9-5-3-2-4-6-10(9)13-11/h3-6,11-12H,7-8H2,1H3.
What are the key properties of N-methyl-3,4-dihydro-2H-cyclohepta[b]pyran-2-amine?
N-methyl-3,4-dihydro-2H-cyclohepta[b]pyran-2-amine has a molecular weight of 175.23 g/mol, XLogP of 1.88, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3,4-dihydro-2H-cyclohepta[b]pyran-2-amine is sourced from PubChem (CID 138714787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).