N-methyl-3,4,6,7-tetrahydro-2H-chromen-2-amine

C10H15NO — CID 130319349

IUPACN-methyl-3,4,6,7-tetrahydro-2H-chromen-2-amine
SMILESCNC1CCC2=CCCC=C2O1
InChIInChI=1S/C10H15NO/c1-11-10-7-6-8-4-2-3-5-9(8)12-10/h4-5,10-11H,2-3,6-7H2,1H3
InChIKeyUVQADOVKVBGVFN-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.95
Rot. Bonds1

About N-methyl-3,4,6,7-tetrahydro-2H-chromen-2-amine

N-methyl-3,4,6,7-tetrahydro-2H-chromen-2-amine (PubChem CID 130319349) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is N-methyl-3,4,6,7-tetrahydro-2H-chromen-2-amine.

Molecular Properties

Compound NameN-methyl-3,4,6,7-tetrahydro-2H-chromen-2-amine
PubChem CID130319349
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC NameN-methyl-3,4,6,7-tetrahydro-2H-chromen-2-amine
SMILESCNC1CCC2=CCCC=C2O1
InChIInChI=1S/C10H15NO/c1-11-10-7-6-8-4-2-3-5-9(8)12-10/h4-5,10-11H,2-3,6-7H2,1H3
InChIKeyUVQADOVKVBGVFN-UHFFFAOYSA-N
XLogP1.95
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3,4,6,7-tetrahydro-2H-chromen-2-amine?
The IUPAC name of N-methyl-3,4,6,7-tetrahydro-2H-chromen-2-amine (CID 130319349) is N-methyl-3,4,6,7-tetrahydro-2H-chromen-2-amine.
What is the SMILES notation for N-methyl-3,4,6,7-tetrahydro-2H-chromen-2-amine?
The canonical SMILES for N-methyl-3,4,6,7-tetrahydro-2H-chromen-2-amine is CNC1CCC2=CCCC=C2O1.
What is the InChIKey of N-methyl-3,4,6,7-tetrahydro-2H-chromen-2-amine?
The InChIKey is UVQADOVKVBGVFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-11-10-7-6-8-4-2-3-5-9(8)12-10/h4-5,10-11H,2-3,6-7H2,1H3.
What are the key properties of N-methyl-3,4,6,7-tetrahydro-2H-chromen-2-amine?
N-methyl-3,4,6,7-tetrahydro-2H-chromen-2-amine has a molecular weight of 165.24 g/mol, XLogP of 1.95, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3,4,6,7-tetrahydro-2H-chromen-2-amine is sourced from PubChem (CID 130319349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).