N-cycloheptyl-2,4-dihydroxy-2,4-dioxo-1,2λ5,4λ5-oxadiphosphetan-3-amine

C8H17NO5P2 — CID 101196354

IUPACN-cycloheptyl-2,4-dihydroxy-2,4-dioxo-1,2λ5,4λ5-oxadiphosphetan-3-amine
SMILESO=P1(O)OP(=O)(O)C1NC1CCCCCC1
InChIInChI=1S/C8H17NO5P2/c10-15(11)8(16(12,13)14-15)9-7-5-3-1-2-4-6-7/h7-9H,1-6H2,(H,10,11)(H,12,13)
InChIKeyZOICPVVENBUTKU-UHFFFAOYSA-N
MW269.17 g/mol
LogP1.98
Rot. Bonds2

About N-cycloheptyl-2,4-dihydroxy-2,4-dioxo-1,2λ5,4λ5-oxadiphosphetan-3-amine

N-cycloheptyl-2,4-dihydroxy-2,4-dioxo-1,2λ5,4λ5-oxadiphosphetan-3-amine (PubChem CID 101196354) has the molecular formula C8H17NO5P2 and a molecular weight of 269.17 g/mol. Its IUPAC name is N-cycloheptyl-2,4-dihydroxy-2,4-dioxo-1,2λ5,4λ5-oxadiphosphetan-3-amine.

Molecular Properties

Compound NameN-cycloheptyl-2,4-dihydroxy-2,4-dioxo-1,2λ5,4λ5-oxadiphosphetan-3-amine
PubChem CID101196354
Molecular FormulaC8H17NO5P2
Molecular Weight269.17 g/mol
Exact Mass269.06
IUPAC NameN-cycloheptyl-2,4-dihydroxy-2,4-dioxo-1,2λ5,4λ5-oxadiphosphetan-3-amine
SMILESO=P1(O)OP(=O)(O)C1NC1CCCCCC1
InChIInChI=1S/C8H17NO5P2/c10-15(11)8(16(12,13)14-15)9-7-5-3-1-2-4-6-7/h7-9H,1-6H2,(H,10,11)(H,12,13)
InChIKeyZOICPVVENBUTKU-UHFFFAOYSA-N
XLogP1.98
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.17
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 16776852
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N-cycloheptyloxan-3-amine
CID 63359772
N-cyclododecyloxan-4-amine
CID 43609748
N-cyclohexylcyclohexanamine;ethane-1,2-disulfonic acid
CID 175379057
N-cyclohexylhydroxylamine;molecular hydrogen
CID 145409846
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CID 104587509
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CID 560327
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CID 70677412
trans-(1R,2R)-2-(cyclopentylamino)cycloheptan-1-ol
CID 93383696
N-cyclododecyl-1,1-dioxothian-4-amine
CID 43614936

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2,4-dihydroxy-2,4-dioxo-1,2λ5,4λ5-oxadiphosphetan-3-amine?
The IUPAC name of N-cycloheptyl-2,4-dihydroxy-2,4-dioxo-1,2λ5,4λ5-oxadiphosphetan-3-amine (CID 101196354) is N-cycloheptyl-2,4-dihydroxy-2,4-dioxo-1,2λ5,4λ5-oxadiphosphetan-3-amine.
What is the SMILES notation for N-cycloheptyl-2,4-dihydroxy-2,4-dioxo-1,2λ5,4λ5-oxadiphosphetan-3-amine?
The canonical SMILES for N-cycloheptyl-2,4-dihydroxy-2,4-dioxo-1,2λ5,4λ5-oxadiphosphetan-3-amine is O=P1(O)OP(=O)(O)C1NC1CCCCCC1.
What is the InChIKey of N-cycloheptyl-2,4-dihydroxy-2,4-dioxo-1,2λ5,4λ5-oxadiphosphetan-3-amine?
The InChIKey is ZOICPVVENBUTKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO5P2/c10-15(11)8(16(12,13)14-15)9-7-5-3-1-2-4-6-7/h7-9H,1-6H2,(H,10,11)(H,12,13).
What are the key properties of N-cycloheptyl-2,4-dihydroxy-2,4-dioxo-1,2λ5,4λ5-oxadiphosphetan-3-amine?
N-cycloheptyl-2,4-dihydroxy-2,4-dioxo-1,2λ5,4λ5-oxadiphosphetan-3-amine has a molecular weight of 269.17 g/mol, XLogP of 1.98, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2,4-dihydroxy-2,4-dioxo-1,2λ5,4λ5-oxadiphosphetan-3-amine is sourced from PubChem (CID 101196354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).