1,3-diethyl-2-methoxy-5,5,7,7-tetramethyl-1,3,2λ5-diazaphosphocane 2-oxide

C14H31N2O2P — CID 143387197

IUPAC1,3-diethyl-2-methoxy-5,5,7,7-tetramethyl-1,3,2λ5-diazaphosphocane 2-oxide
SMILESCCN1CC(C)(C)CC(C)(C)CN(CC)P1(=O)OC
InChIInChI=1S/C14H31N2O2P/c1-8-15-11-13(3,4)10-14(5,6)12-16(9-2)19(15,17)18-7/h8-12H2,1-7H3
InChIKeyKVMPSQDLSZRCLC-UHFFFAOYSA-N
MW290.39 g/mol
LogP3.84
Rot. Bonds3

About 1,3-diethyl-2-methoxy-5,5,7,7-tetramethyl-1,3,2λ5-diazaphosphocane 2-oxide

1,3-diethyl-2-methoxy-5,5,7,7-tetramethyl-1,3,2λ5-diazaphosphocane 2-oxide (PubChem CID 143387197) has the molecular formula C14H31N2O2P and a molecular weight of 290.39 g/mol. Its IUPAC name is 1,3-diethyl-2-methoxy-5,5,7,7-tetramethyl-1,3,2λ5-diazaphosphocane 2-oxide.

Molecular Properties

Compound Name1,3-diethyl-2-methoxy-5,5,7,7-tetramethyl-1,3,2λ5-diazaphosphocane 2-oxide
PubChem CID143387197
Molecular FormulaC14H31N2O2P
Molecular Weight290.39 g/mol
Exact Mass290.21
IUPAC Name1,3-diethyl-2-methoxy-5,5,7,7-tetramethyl-1,3,2λ5-diazaphosphocane 2-oxide
SMILESCCN1CC(C)(C)CC(C)(C)CN(CC)P1(=O)OC
InChIInChI=1S/C14H31N2O2P/c1-8-15-11-13(3,4)10-14(5,6)12-16(9-2)19(15,17)18-7/h8-12H2,1-7H3
InChIKeyKVMPSQDLSZRCLC-UHFFFAOYSA-N
XLogP3.84
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 23620614
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ditert-butyl 4,4,6,6-tetramethyldiazepane-1,2-dicarboxylate
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4-ethyl-1,4λ5-azaphosphinane 4-oxide;hydrochloride
CID 67316802
1,3-diethyl-2-[(2S,3R)-3-methyloxiran-2-yl]-1,3,2λ5-diazaphospholidine 2-oxide
CID 88832521
1-(methoxymethyl)-3,3,5,5-tetramethylcyclohexane-1-carbaldehyde
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1-butyl-2,2,4,4-tetramethylpyrrolidine
CID 143377523
1-(aminomethyl)-N-ethyl-N,3,3,5,5-pentamethylcyclohexan-1-amine
CID 112682313
N-ethoxy-3,3-dimethylpyrrolidine-1-carboxamide
CID 130616127
ethane;1-ethyl-3-fluoro-3-methylazetidine
CID 178155660
2-ethyl-4,4-dimethylthiazinane 1,1-dioxide
CID 89365398
2-methoxy-4,4-dimethyl-1,3,2lambda5-dioxaphosphinane 2-oxide
CID 14759819

Frequently Asked Questions

What is the IUPAC name of 1,3-diethyl-2-methoxy-5,5,7,7-tetramethyl-1,3,2λ5-diazaphosphocane 2-oxide?
The IUPAC name of 1,3-diethyl-2-methoxy-5,5,7,7-tetramethyl-1,3,2λ5-diazaphosphocane 2-oxide (CID 143387197) is 1,3-diethyl-2-methoxy-5,5,7,7-tetramethyl-1,3,2λ5-diazaphosphocane 2-oxide.
What is the SMILES notation for 1,3-diethyl-2-methoxy-5,5,7,7-tetramethyl-1,3,2λ5-diazaphosphocane 2-oxide?
The canonical SMILES for 1,3-diethyl-2-methoxy-5,5,7,7-tetramethyl-1,3,2λ5-diazaphosphocane 2-oxide is CCN1CC(C)(C)CC(C)(C)CN(CC)P1(=O)OC.
What is the InChIKey of 1,3-diethyl-2-methoxy-5,5,7,7-tetramethyl-1,3,2λ5-diazaphosphocane 2-oxide?
The InChIKey is KVMPSQDLSZRCLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N2O2P/c1-8-15-11-13(3,4)10-14(5,6)12-16(9-2)19(15,17)18-7/h8-12H2,1-7H3.
What are the key properties of 1,3-diethyl-2-methoxy-5,5,7,7-tetramethyl-1,3,2λ5-diazaphosphocane 2-oxide?
1,3-diethyl-2-methoxy-5,5,7,7-tetramethyl-1,3,2λ5-diazaphosphocane 2-oxide has a molecular weight of 290.39 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diethyl-2-methoxy-5,5,7,7-tetramethyl-1,3,2λ5-diazaphosphocane 2-oxide is sourced from PubChem (CID 143387197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).