(3-methylazepan-3-yl)oxyphosphanylformic acid

C8H16NO3P — CID 91239353

IUPAC(3-methylazepan-3-yl)oxyphosphanylformic acid
SMILESCC1(OPC(=O)O)CCCCNC1
InChIInChI=1S/C8H16NO3P/c1-8(12-13-7(10)11)4-2-3-5-9-6-8/h9,13H,2-6H2,1H3,(H,10,11)
InChIKeyYEJBRHICAWLRFP-UHFFFAOYSA-N
MW205.19 g/mol
LogP1.81
Rot. Bonds3

About (3-methylazepan-3-yl)oxyphosphanylformic acid

(3-methylazepan-3-yl)oxyphosphanylformic acid (PubChem CID 91239353) has the molecular formula C8H16NO3P and a molecular weight of 205.19 g/mol. Its IUPAC name is (3-methylazepan-3-yl)oxyphosphanylformic acid.

Molecular Properties

Compound Name(3-methylazepan-3-yl)oxyphosphanylformic acid
PubChem CID91239353
Molecular FormulaC8H16NO3P
Molecular Weight205.19 g/mol
Exact Mass205.09
IUPAC Name(3-methylazepan-3-yl)oxyphosphanylformic acid
SMILESCC1(OPC(=O)O)CCCCNC1
InChIInChI=1S/C8H16NO3P/c1-8(12-13-7(10)11)4-2-3-5-9-6-8/h9,13H,2-6H2,1H3,(H,10,11)
InChIKeyYEJBRHICAWLRFP-UHFFFAOYSA-N
XLogP1.81
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.19
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-methylpiperidin-3-yl)oxybenzoic acid
CID 117053969
5-methoxy-5-methylazonane
CID 137425996
1-(azepan-1-yl)-2-(3-methylpiperidin-3-yl)oxyethanone
CID 107385595
N-cyclopropyl-N-methyl-2-(3-methylpiperidin-3-yl)oxyacetamide
CID 107385622
ethyl (3S)-3-methylazepane-3-carboxylate
CID 124785367
N-(3-methylazepan-3-yl)acetamide
CID 83682814
methyl (3S)-3-methylpiperidine-3-carboxylate
CID 52644166
methyl 2-[methyl-(3-methylpiperidine-3-carbonyl)amino]acetate
CID 63131941
3-methoxy-2-(3-methylpiperidin-3-yl)oxybenzoic acid
CID 117054046
N-cyclopropyl-3-(3-methylpiperidin-3-yl)oxypropanamide
CID 107385799
2-(3-methylpiperidin-3-yl)oxyethanamine
CID 143190945
2-amino-1-(3-methylpiperidin-3-yl)ethanone
CID 115012172

Frequently Asked Questions

What is the IUPAC name of (3-methylazepan-3-yl)oxyphosphanylformic acid?
The IUPAC name of (3-methylazepan-3-yl)oxyphosphanylformic acid (CID 91239353) is (3-methylazepan-3-yl)oxyphosphanylformic acid.
What is the SMILES notation for (3-methylazepan-3-yl)oxyphosphanylformic acid?
The canonical SMILES for (3-methylazepan-3-yl)oxyphosphanylformic acid is CC1(OPC(=O)O)CCCCNC1.
What is the InChIKey of (3-methylazepan-3-yl)oxyphosphanylformic acid?
The InChIKey is YEJBRHICAWLRFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16NO3P/c1-8(12-13-7(10)11)4-2-3-5-9-6-8/h9,13H,2-6H2,1H3,(H,10,11).
What are the key properties of (3-methylazepan-3-yl)oxyphosphanylformic acid?
(3-methylazepan-3-yl)oxyphosphanylformic acid has a molecular weight of 205.19 g/mol, XLogP of 1.81, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylazepan-3-yl)oxyphosphanylformic acid is sourced from PubChem (CID 91239353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).