5-methyl-1-phosphanylazocan-5-ol

C8H18NOP — CID 137426005

IUPAC5-methyl-1-phosphanylazocan-5-ol
SMILESCC1(O)CCCN(P)CCC1
InChIInChI=1S/C8H18NOP/c1-8(10)4-2-6-9(11)7-3-5-8/h10H,2-7,11H2,1H3
InChIKeyHJGNANFSCXRHLX-UHFFFAOYSA-N
MW175.21 g/mol
LogP1.40
Rot. Bonds

About 5-methyl-1-phosphanylazocan-5-ol

5-methyl-1-phosphanylazocan-5-ol (PubChem CID 137426005) has the molecular formula C8H18NOP and a molecular weight of 175.21 g/mol. Its IUPAC name is 5-methyl-1-phosphanylazocan-5-ol.

Molecular Properties

Compound Name5-methyl-1-phosphanylazocan-5-ol
PubChem CID137426005
Molecular FormulaC8H18NOP
Molecular Weight175.21 g/mol
Exact Mass175.11
IUPAC Name5-methyl-1-phosphanylazocan-5-ol
SMILESCC1(O)CCCN(P)CCC1
InChIInChI=1S/C8H18NOP/c1-8(10)4-2-6-9(11)7-3-5-8/h10H,2-7,11H2,1H3
InChIKeyHJGNANFSCXRHLX-UHFFFAOYSA-N
XLogP1.40
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.21
LogP ≤ 51.40
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 5-methyl-1-phosphanylazocan-5-ol?
The IUPAC name of 5-methyl-1-phosphanylazocan-5-ol (CID 137426005) is 5-methyl-1-phosphanylazocan-5-ol.
What is the SMILES notation for 5-methyl-1-phosphanylazocan-5-ol?
The canonical SMILES for 5-methyl-1-phosphanylazocan-5-ol is CC1(O)CCCN(P)CCC1.
What is the InChIKey of 5-methyl-1-phosphanylazocan-5-ol?
The InChIKey is HJGNANFSCXRHLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18NOP/c1-8(10)4-2-6-9(11)7-3-5-8/h10H,2-7,11H2,1H3.
What are the key properties of 5-methyl-1-phosphanylazocan-5-ol?
5-methyl-1-phosphanylazocan-5-ol has a molecular weight of 175.21 g/mol, XLogP of 1.40, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-phosphanylazocan-5-ol is sourced from PubChem (CID 137426005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).