3,3a,6,6a-tetrahydro-1H-cyclopenta[c]phosphol-2-ylmethanamine

C8H14NP — CID 174196362

IUPAC3,3a,6,6a-tetrahydro-1H-cyclopenta[c]phosphol-2-ylmethanamine
SMILESNCP1CC2C=CCC2C1
InChIInChI=1S/C8H14NP/c9-6-10-4-7-2-1-3-8(7)5-10/h1-2,7-8H,3-6,9H2
InChIKeyWJWSRPGMNFONCI-UHFFFAOYSA-N
MW155.18 g/mol
LogP1.59
Rot. Bonds1

About 3,3a,6,6a-tetrahydro-1H-cyclopenta[c]phosphol-2-ylmethanamine

3,3a,6,6a-tetrahydro-1H-cyclopenta[c]phosphol-2-ylmethanamine (PubChem CID 174196362) has the molecular formula C8H14NP and a molecular weight of 155.18 g/mol. Its IUPAC name is 3,3a,6,6a-tetrahydro-1H-cyclopenta[c]phosphol-2-ylmethanamine.

Molecular Properties

Compound Name3,3a,6,6a-tetrahydro-1H-cyclopenta[c]phosphol-2-ylmethanamine
PubChem CID174196362
Molecular FormulaC8H14NP
Molecular Weight155.18 g/mol
Exact Mass155.09
IUPAC Name3,3a,6,6a-tetrahydro-1H-cyclopenta[c]phosphol-2-ylmethanamine
SMILESNCP1CC2C=CCC2C1
InChIInChI=1S/C8H14NP/c9-6-10-4-7-2-1-3-8(7)5-10/h1-2,7-8H,3-6,9H2
InChIKeyWJWSRPGMNFONCI-UHFFFAOYSA-N
XLogP1.59
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.18
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,3a,6,6a-tetrahydro-1H-cyclopenta[c]phosphol-2-ylmethanamine?
The IUPAC name of 3,3a,6,6a-tetrahydro-1H-cyclopenta[c]phosphol-2-ylmethanamine (CID 174196362) is 3,3a,6,6a-tetrahydro-1H-cyclopenta[c]phosphol-2-ylmethanamine.
What is the SMILES notation for 3,3a,6,6a-tetrahydro-1H-cyclopenta[c]phosphol-2-ylmethanamine?
The canonical SMILES for 3,3a,6,6a-tetrahydro-1H-cyclopenta[c]phosphol-2-ylmethanamine is NCP1CC2C=CCC2C1.
What is the InChIKey of 3,3a,6,6a-tetrahydro-1H-cyclopenta[c]phosphol-2-ylmethanamine?
The InChIKey is WJWSRPGMNFONCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14NP/c9-6-10-4-7-2-1-3-8(7)5-10/h1-2,7-8H,3-6,9H2.
What are the key properties of 3,3a,6,6a-tetrahydro-1H-cyclopenta[c]phosphol-2-ylmethanamine?
3,3a,6,6a-tetrahydro-1H-cyclopenta[c]phosphol-2-ylmethanamine has a molecular weight of 155.18 g/mol, XLogP of 1.59, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3a,6,6a-tetrahydro-1H-cyclopenta[c]phosphol-2-ylmethanamine is sourced from PubChem (CID 174196362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).