(4R)-N-methyl-3,4,7,8-tetrahydro-2H-chromen-4-amine;molecular hydrogen

C10H17NO — CID 164864986

IUPAC(4R)-N-methyl-3,4,7,8-tetrahydro-2H-chromen-4-amine;molecular hydrogen
SMILESCN[C@@H]1CCOC2=C1C=CCC2.[H][H]
InChIInChI=1S/C10H15NO.H2/c1-11-9-6-7-12-10-5-3-2-4-8(9)10;/h2,4,9,11H,3,5-7H2,1H3;1H/t9-;/m1./s1
InChIKeyLJDGRTCGIBURRJ-SBSPUUFOSA-N
MW167.25 g/mol
LogP1.84
Rot. Bonds1

About (4R)-N-methyl-3,4,7,8-tetrahydro-2H-chromen-4-amine;molecular hydrogen

(4R)-N-methyl-3,4,7,8-tetrahydro-2H-chromen-4-amine;molecular hydrogen (PubChem CID 164864986) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is (4R)-N-methyl-3,4,7,8-tetrahydro-2H-chromen-4-amine;molecular hydrogen.

Molecular Properties

Compound Name(4R)-N-methyl-3,4,7,8-tetrahydro-2H-chromen-4-amine;molecular hydrogen
PubChem CID164864986
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name(4R)-N-methyl-3,4,7,8-tetrahydro-2H-chromen-4-amine;molecular hydrogen
SMILESCN[C@@H]1CCOC2=C1C=CCC2.[H][H]
InChIInChI=1S/C10H15NO.H2/c1-11-9-6-7-12-10-5-3-2-4-8(9)10;/h2,4,9,11H,3,5-7H2,1H3;1H/t9-;/m1./s1
InChIKeyLJDGRTCGIBURRJ-SBSPUUFOSA-N
XLogP1.84
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R)-N-methyl-3,4,7,8-tetrahydro-2H-chromen-4-amine;molecular hydrogen?
The IUPAC name of (4R)-N-methyl-3,4,7,8-tetrahydro-2H-chromen-4-amine;molecular hydrogen (CID 164864986) is (4R)-N-methyl-3,4,7,8-tetrahydro-2H-chromen-4-amine;molecular hydrogen.
What is the SMILES notation for (4R)-N-methyl-3,4,7,8-tetrahydro-2H-chromen-4-amine;molecular hydrogen?
The canonical SMILES for (4R)-N-methyl-3,4,7,8-tetrahydro-2H-chromen-4-amine;molecular hydrogen is CN[C@@H]1CCOC2=C1C=CCC2.[H][H].
What is the InChIKey of (4R)-N-methyl-3,4,7,8-tetrahydro-2H-chromen-4-amine;molecular hydrogen?
The InChIKey is LJDGRTCGIBURRJ-SBSPUUFOSA-N. The full InChI is InChI=1S/C10H15NO.H2/c1-11-9-6-7-12-10-5-3-2-4-8(9)10;/h2,4,9,11H,3,5-7H2,1H3;1H/t9-;/m1./s1.
What are the key properties of (4R)-N-methyl-3,4,7,8-tetrahydro-2H-chromen-4-amine;molecular hydrogen?
(4R)-N-methyl-3,4,7,8-tetrahydro-2H-chromen-4-amine;molecular hydrogen has a molecular weight of 167.25 g/mol, XLogP of 1.84, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-methyl-3,4,7,8-tetrahydro-2H-chromen-4-amine;molecular hydrogen is sourced from PubChem (CID 164864986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).