ethane;N-methyl-3-phosphanyl-5,6,7,8-tetrahydroisoquinolin-1-amine

C12H21N2P — CID 142126658

IUPACethane;N-methyl-3-phosphanyl-5,6,7,8-tetrahydroisoquinolin-1-amine
SMILESCC.CNc1nc(P)cc2c1CCCC2
InChIInChI=1S/C10H15N2P.C2H6/c1-11-10-8-5-3-2-4-7(8)6-9(13)12-10;1-2/h6H,2-5,13H2,1H3,(H,11,12);1-2H3
InChIKeyREEPFDQDKYMVDR-UHFFFAOYSA-N
MW224.29 g/mol
LogP2.53
Rot. Bonds1

About ethane;N-methyl-3-phosphanyl-5,6,7,8-tetrahydroisoquinolin-1-amine

ethane;N-methyl-3-phosphanyl-5,6,7,8-tetrahydroisoquinolin-1-amine (PubChem CID 142126658) has the molecular formula C12H21N2P and a molecular weight of 224.29 g/mol. Its IUPAC name is ethane;N-methyl-3-phosphanyl-5,6,7,8-tetrahydroisoquinolin-1-amine.

Molecular Properties

Compound Nameethane;N-methyl-3-phosphanyl-5,6,7,8-tetrahydroisoquinolin-1-amine
PubChem CID142126658
Molecular FormulaC12H21N2P
Molecular Weight224.29 g/mol
Exact Mass224.14
IUPAC Nameethane;N-methyl-3-phosphanyl-5,6,7,8-tetrahydroisoquinolin-1-amine
SMILESCC.CNc1nc(P)cc2c1CCCC2
InChIInChI=1S/C10H15N2P.C2H6/c1-11-10-8-5-3-2-4-7(8)6-9(13)12-10;1-2/h6H,2-5,13H2,1H3,(H,11,12);1-2H3
InChIKeyREEPFDQDKYMVDR-UHFFFAOYSA-N
XLogP2.53
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.29
LogP ≤ 52.53
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 ethane;N-methyl-3-phosphanyl-5,6,7,8-tetrahydroisoquinolin-1-amine?
The IUPAC name of ethane;N-methyl-3-phosphanyl-5,6,7,8-tetrahydroisoquinolin-1-amine (CID 142126658) is ethane;N-methyl-3-phosphanyl-5,6,7,8-tetrahydroisoquinolin-1-amine.
What is the SMILES notation for ethane;N-methyl-3-phosphanyl-5,6,7,8-tetrahydroisoquinolin-1-amine?
The canonical SMILES for ethane;N-methyl-3-phosphanyl-5,6,7,8-tetrahydroisoquinolin-1-amine is CC.CNc1nc(P)cc2c1CCCC2.
What is the InChIKey of ethane;N-methyl-3-phosphanyl-5,6,7,8-tetrahydroisoquinolin-1-amine?
The InChIKey is REEPFDQDKYMVDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N2P.C2H6/c1-11-10-8-5-3-2-4-7(8)6-9(13)12-10;1-2/h6H,2-5,13H2,1H3,(H,11,12);1-2H3.
What are the key properties of ethane;N-methyl-3-phosphanyl-5,6,7,8-tetrahydroisoquinolin-1-amine?
ethane;N-methyl-3-phosphanyl-5,6,7,8-tetrahydroisoquinolin-1-amine has a molecular weight of 224.29 g/mol, XLogP of 2.53, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methyl-3-phosphanyl-5,6,7,8-tetrahydroisoquinolin-1-amine is sourced from PubChem (CID 142126658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).