8a-methyl-2,3,4,4a,5,8-hexahydrochromen-2-amine

C10H17NO — CID 135291092

IUPAC8a-methyl-2,3,4,4a,5,8-hexahydrochromen-2-amine
SMILESCC12CC=CCC1CCC(N)O2
InChIInChI=1S/C10H17NO/c1-10-7-3-2-4-8(10)5-6-9(11)12-10/h2-3,8-9H,4-7,11H2,1H3
InChIKeyTUDFDRYRYANNHL-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.81
Rot. Bonds

About 8a-methyl-2,3,4,4a,5,8-hexahydrochromen-2-amine

8a-methyl-2,3,4,4a,5,8-hexahydrochromen-2-amine (PubChem CID 135291092) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 8a-methyl-2,3,4,4a,5,8-hexahydrochromen-2-amine.

Molecular Properties

Compound Name8a-methyl-2,3,4,4a,5,8-hexahydrochromen-2-amine
PubChem CID135291092
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name8a-methyl-2,3,4,4a,5,8-hexahydrochromen-2-amine
SMILESCC12CC=CCC1CCC(N)O2
InChIInChI=1S/C10H17NO/c1-10-7-3-2-4-8(10)5-6-9(11)12-10/h2-3,8-9H,4-7,11H2,1H3
InChIKeyTUDFDRYRYANNHL-UHFFFAOYSA-N
XLogP1.81
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8a-methyl-2,3,4,4a,5,8-hexahydrochromen-2-amine?
The IUPAC name of 8a-methyl-2,3,4,4a,5,8-hexahydrochromen-2-amine (CID 135291092) is 8a-methyl-2,3,4,4a,5,8-hexahydrochromen-2-amine.
What is the SMILES notation for 8a-methyl-2,3,4,4a,5,8-hexahydrochromen-2-amine?
The canonical SMILES for 8a-methyl-2,3,4,4a,5,8-hexahydrochromen-2-amine is CC12CC=CCC1CCC(N)O2.
What is the InChIKey of 8a-methyl-2,3,4,4a,5,8-hexahydrochromen-2-amine?
The InChIKey is TUDFDRYRYANNHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-10-7-3-2-4-8(10)5-6-9(11)12-10/h2-3,8-9H,4-7,11H2,1H3.
What are the key properties of 8a-methyl-2,3,4,4a,5,8-hexahydrochromen-2-amine?
8a-methyl-2,3,4,4a,5,8-hexahydrochromen-2-amine has a molecular weight of 167.25 g/mol, XLogP of 1.81, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8a-methyl-2,3,4,4a,5,8-hexahydrochromen-2-amine is sourced from PubChem (CID 135291092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).