N-methyl-2-phosphanyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-amine

C9H19N2P — CID 58885313

IUPACN-methyl-2-phosphanyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-amine
SMILESCNC1CCC2CN(P)CC2C1
InChIInChI=1S/C9H19N2P/c1-10-9-3-2-7-5-11(12)6-8(7)4-9/h7-10H,2-6,12H2,1H3
InChIKeyFLLSAZPBOVQNHD-UHFFFAOYSA-N
MW186.24 g/mol
LogP1.10
Rot. Bonds1

About N-methyl-2-phosphanyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-amine

N-methyl-2-phosphanyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-amine (PubChem CID 58885313) has the molecular formula C9H19N2P and a molecular weight of 186.24 g/mol. Its IUPAC name is N-methyl-2-phosphanyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-amine.

Molecular Properties

Compound NameN-methyl-2-phosphanyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-amine
PubChem CID58885313
Molecular FormulaC9H19N2P
Molecular Weight186.24 g/mol
Exact Mass186.13
IUPAC NameN-methyl-2-phosphanyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-amine
SMILESCNC1CCC2CN(P)CC2C1
InChIInChI=1S/C9H19N2P/c1-10-9-3-2-7-5-11(12)6-8(7)4-9/h7-10H,2-6,12H2,1H3
InChIKeyFLLSAZPBOVQNHD-UHFFFAOYSA-N
XLogP1.10
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.24
LogP ≤ 51.10
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-2-phosphanyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-amine?
The IUPAC name of N-methyl-2-phosphanyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-amine (CID 58885313) is N-methyl-2-phosphanyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-amine.
What is the SMILES notation for N-methyl-2-phosphanyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-amine?
The canonical SMILES for N-methyl-2-phosphanyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-amine is CNC1CCC2CN(P)CC2C1.
What is the InChIKey of N-methyl-2-phosphanyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-amine?
The InChIKey is FLLSAZPBOVQNHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N2P/c1-10-9-3-2-7-5-11(12)6-8(7)4-9/h7-10H,2-6,12H2,1H3.
What are the key properties of N-methyl-2-phosphanyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-amine?
N-methyl-2-phosphanyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-amine has a molecular weight of 186.24 g/mol, XLogP of 1.10, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-phosphanyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-amine is sourced from PubChem (CID 58885313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).