N-methyl-5-phosphanyl-3,6-dihydro-2H-pyran-4-amine

C6H12NOP — CID 170359840

IUPACN-methyl-5-phosphanyl-3,6-dihydro-2H-pyran-4-amine
SMILESCNC1=C(P)COCC1
InChIInChI=1S/C6H12NOP/c1-7-5-2-3-8-4-6(5)9/h7H,2-4,9H2,1H3
InChIKeyNORDBSHEOASIBC-UHFFFAOYSA-N
MW145.14 g/mol
LogP0.71
Rot. Bonds1

About N-methyl-5-phosphanyl-3,6-dihydro-2H-pyran-4-amine

N-methyl-5-phosphanyl-3,6-dihydro-2H-pyran-4-amine (PubChem CID 170359840) has the molecular formula C6H12NOP and a molecular weight of 145.14 g/mol. Its IUPAC name is N-methyl-5-phosphanyl-3,6-dihydro-2H-pyran-4-amine.

Molecular Properties

Compound NameN-methyl-5-phosphanyl-3,6-dihydro-2H-pyran-4-amine
PubChem CID170359840
Molecular FormulaC6H12NOP
Molecular Weight145.14 g/mol
Exact Mass145.07
IUPAC NameN-methyl-5-phosphanyl-3,6-dihydro-2H-pyran-4-amine
SMILESCNC1=C(P)COCC1
InChIInChI=1S/C6H12NOP/c1-7-5-2-3-8-4-6(5)9/h7H,2-4,9H2,1H3
InChIKeyNORDBSHEOASIBC-UHFFFAOYSA-N
XLogP0.71
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.14
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-phosphanyl-3,6-dihydro-2H-pyran-4-amine?
The IUPAC name of N-methyl-5-phosphanyl-3,6-dihydro-2H-pyran-4-amine (CID 170359840) is N-methyl-5-phosphanyl-3,6-dihydro-2H-pyran-4-amine.
What is the SMILES notation for N-methyl-5-phosphanyl-3,6-dihydro-2H-pyran-4-amine?
The canonical SMILES for N-methyl-5-phosphanyl-3,6-dihydro-2H-pyran-4-amine is CNC1=C(P)COCC1.
What is the InChIKey of N-methyl-5-phosphanyl-3,6-dihydro-2H-pyran-4-amine?
The InChIKey is NORDBSHEOASIBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12NOP/c1-7-5-2-3-8-4-6(5)9/h7H,2-4,9H2,1H3.
What are the key properties of N-methyl-5-phosphanyl-3,6-dihydro-2H-pyran-4-amine?
N-methyl-5-phosphanyl-3,6-dihydro-2H-pyran-4-amine has a molecular weight of 145.14 g/mol, XLogP of 0.71, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-phosphanyl-3,6-dihydro-2H-pyran-4-amine is sourced from PubChem (CID 170359840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).