N-(diethoxy-iodo-methyl-λ5-phosphanyl)-N-ethylprop-2-yn-1-amine

C10H21INO2P — CID 134885595

IUPACN-(diethoxy-iodo-methyl-λ5-phosphanyl)-N-ethylprop-2-yn-1-amine
SMILESC#CCN(CC)P(C)(I)(OCC)OCC
InChIInChI=1S/C10H21INO2P/c1-6-10-12(7-2)15(5,11,13-8-3)14-9-4/h1H,7-10H2,2-5H3
InChIKeyQCHVRTCGXGHROS-UHFFFAOYSA-N
MW345.16 g/mol
LogP3.29
Rot. Bonds7

About N-(diethoxy-iodo-methyl-λ5-phosphanyl)-N-ethylprop-2-yn-1-amine

N-(diethoxy-iodo-methyl-λ5-phosphanyl)-N-ethylprop-2-yn-1-amine (PubChem CID 134885595) has the molecular formula C10H21INO2P and a molecular weight of 345.16 g/mol. Its IUPAC name is N-(diethoxy-iodo-methyl-λ5-phosphanyl)-N-ethylprop-2-yn-1-amine.

Molecular Properties

Compound NameN-(diethoxy-iodo-methyl-λ5-phosphanyl)-N-ethylprop-2-yn-1-amine
PubChem CID134885595
Molecular FormulaC10H21INO2P
Molecular Weight345.16 g/mol
Exact Mass345.04
IUPAC NameN-(diethoxy-iodo-methyl-λ5-phosphanyl)-N-ethylprop-2-yn-1-amine
SMILESC#CCN(CC)P(C)(I)(OCC)OCC
InChIInChI=1S/C10H21INO2P/c1-6-10-12(7-2)15(5,11,13-8-3)14-9-4/h1H,7-10H2,2-5H3
InChIKeyQCHVRTCGXGHROS-UHFFFAOYSA-N
XLogP3.29
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.16
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(diethoxy-iodo-methyl-λ5-phosphanyl)-N-ethylprop-2-yn-1-amine?
The IUPAC name of N-(diethoxy-iodo-methyl-λ5-phosphanyl)-N-ethylprop-2-yn-1-amine (CID 134885595) is N-(diethoxy-iodo-methyl-λ5-phosphanyl)-N-ethylprop-2-yn-1-amine.
What is the SMILES notation for N-(diethoxy-iodo-methyl-λ5-phosphanyl)-N-ethylprop-2-yn-1-amine?
The canonical SMILES for N-(diethoxy-iodo-methyl-λ5-phosphanyl)-N-ethylprop-2-yn-1-amine is C#CCN(CC)P(C)(I)(OCC)OCC.
What is the InChIKey of N-(diethoxy-iodo-methyl-λ5-phosphanyl)-N-ethylprop-2-yn-1-amine?
The InChIKey is QCHVRTCGXGHROS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21INO2P/c1-6-10-12(7-2)15(5,11,13-8-3)14-9-4/h1H,7-10H2,2-5H3.
What are the key properties of N-(diethoxy-iodo-methyl-λ5-phosphanyl)-N-ethylprop-2-yn-1-amine?
N-(diethoxy-iodo-methyl-λ5-phosphanyl)-N-ethylprop-2-yn-1-amine has a molecular weight of 345.16 g/mol, XLogP of 3.29, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diethoxy-iodo-methyl-λ5-phosphanyl)-N-ethylprop-2-yn-1-amine is sourced from PubChem (CID 134885595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).