2-[methyl-[2-(methylamino)ethyl]amino]ethyl dihydrogen phosphite

C6H17N2O3P — CID 143880541

IUPAC2-[methyl-[2-(methylamino)ethyl]amino]ethyl dihydrogen phosphite
SMILESCNCCN(C)CCOP(O)O
InChIInChI=1S/C6H17N2O3P/c1-7-3-4-8(2)5-6-11-12(9)10/h7,9-10H,3-6H2,1-2H3
InChIKeyPCMXKKYANLPOHX-UHFFFAOYSA-N
MW196.19 g/mol
LogP-0.63
Rot. Bonds7

About 2-[methyl-[2-(methylamino)ethyl]amino]ethyl dihydrogen phosphite

2-[methyl-[2-(methylamino)ethyl]amino]ethyl dihydrogen phosphite (PubChem CID 143880541) has the molecular formula C6H17N2O3P and a molecular weight of 196.19 g/mol. Its IUPAC name is 2-[methyl-[2-(methylamino)ethyl]amino]ethyl dihydrogen phosphite.

Molecular Properties

Compound Name2-[methyl-[2-(methylamino)ethyl]amino]ethyl dihydrogen phosphite
PubChem CID143880541
Molecular FormulaC6H17N2O3P
Molecular Weight196.19 g/mol
Exact Mass196.10
IUPAC Name2-[methyl-[2-(methylamino)ethyl]amino]ethyl dihydrogen phosphite
SMILESCNCCN(C)CCOP(O)O
InChIInChI=1S/C6H17N2O3P/c1-7-3-4-8(2)5-6-11-12(9)10/h7,9-10H,3-6H2,1-2H3
InChIKeyPCMXKKYANLPOHX-UHFFFAOYSA-N
XLogP-0.63
TPSA64.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.19
LogP ≤ 5-0.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(dimethylamino)ethyl dihydrogen phosphite
CID 21448901
N,N'-dimethyl-N'-propylethane-1,2-diamine;methane
CID 159586340
ethane;N'-ethyl-N,N'-dimethylethane-1,2-diamine;methanol
CID 144534922
2-[2-[2-[2-(dimethylamino)ethoxy]ethyl-methylamino]ethoxy]-N-methylethanamine
CID 90874873
ethane;N'-ethyl-N,N'-dimethylethane-1,2-diamine
CID 142870975
(2R)-1-[methyl-[2-(methylamino)ethyl]amino]propan-2-ol
CID 103668529
1-[methyl-[2-(methylamino)ethyl]amino]propan-2-ol
CID 62337944
N-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-(methylamino)ethanesulfonamide
CID 62850818
N'-heptyl-N,N'-dimethylethane-1,2-diamine
CID 43374401
N'-heptadecyl-N,N'-dimethylethane-1,2-diamine
CID 23574295
N'-(2,2-dimethoxyethyl)-N,N'-dimethylethane-1,2-diamine
CID 66224074
N-[2-[2-methoxyethyl(methyl)amino]ethyl]-4-(methylamino)butane-1-sulfonamide
CID 114141026

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[2-(methylamino)ethyl]amino]ethyl dihydrogen phosphite?
The IUPAC name of 2-[methyl-[2-(methylamino)ethyl]amino]ethyl dihydrogen phosphite (CID 143880541) is 2-[methyl-[2-(methylamino)ethyl]amino]ethyl dihydrogen phosphite.
What is the SMILES notation for 2-[methyl-[2-(methylamino)ethyl]amino]ethyl dihydrogen phosphite?
The canonical SMILES for 2-[methyl-[2-(methylamino)ethyl]amino]ethyl dihydrogen phosphite is CNCCN(C)CCOP(O)O.
What is the InChIKey of 2-[methyl-[2-(methylamino)ethyl]amino]ethyl dihydrogen phosphite?
The InChIKey is PCMXKKYANLPOHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H17N2O3P/c1-7-3-4-8(2)5-6-11-12(9)10/h7,9-10H,3-6H2,1-2H3.
What are the key properties of 2-[methyl-[2-(methylamino)ethyl]amino]ethyl dihydrogen phosphite?
2-[methyl-[2-(methylamino)ethyl]amino]ethyl dihydrogen phosphite has a molecular weight of 196.19 g/mol, XLogP of -0.63, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[2-(methylamino)ethyl]amino]ethyl dihydrogen phosphite is sourced from PubChem (CID 143880541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).