2-dimethylphosphanyl-N-methylethanamine

C5H14NP — CID 86052792

IUPAC2-dimethylphosphanyl-N-methylethanamine
SMILESCNCCP(C)C
InChIInChI=1S/C5H14NP/c1-6-4-5-7(2)3/h6H,4-5H2,1-3H3
InChIKeyNSCMQPNCQZJACK-UHFFFAOYSA-N
MW119.15 g/mol
LogP0.95
Rot. Bonds3

About 2-dimethylphosphanyl-N-methylethanamine

2-dimethylphosphanyl-N-methylethanamine (PubChem CID 86052792) has the molecular formula C5H14NP and a molecular weight of 119.15 g/mol. Its IUPAC name is 2-dimethylphosphanyl-N-methylethanamine.

Molecular Properties

Compound Name2-dimethylphosphanyl-N-methylethanamine
PubChem CID86052792
Molecular FormulaC5H14NP
Molecular Weight119.15 g/mol
Exact Mass119.09
IUPAC Name2-dimethylphosphanyl-N-methylethanamine
SMILESCNCCP(C)C
InChIInChI=1S/C5H14NP/c1-6-4-5-7(2)3/h6H,4-5H2,1-3H3
InChIKeyNSCMQPNCQZJACK-UHFFFAOYSA-N
XLogP0.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.15
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Ethanamine, 2-(diethylphosphino)-N-[2-(diethylphosphino)ethyl]-
CID 4376759
2-(Dimethylphosphanyl)-N-[2-(dimethylphosphanyl)ethyl]ethan-1-amine
CID 71340183
3-[fluoro(methyl)phosphanyl]-N-methylpropan-1-amine
CID 89326726
Amine, N,N-bis[2-(methylphosphino)ethyl]-
CID 5366868
2-dimethylphosphinothioyl-N-methylethanamine
CID 86052789
Ethanamine, 2-(dimethylphosphino)-
CID 6395081
N-methyl-2-phosphanylethanamine
CID 14222860
N-ethylethanamine;trimethylphosphane
CID 20493251
Ethylaminomethyl-methyl-oxophosphanium
CID 20772096
2-dimethylphosphoryl-N-methylethanamine
CID 21520362
N-ethylethanamine;triethylphosphane
CID 23462600
3-dimethylphosphanyl-N-methylbutan-1-amine
CID 53932328

Frequently Asked Questions

What is the IUPAC name of 2-dimethylphosphanyl-N-methylethanamine?
The IUPAC name of 2-dimethylphosphanyl-N-methylethanamine (CID 86052792) is 2-dimethylphosphanyl-N-methylethanamine.
What is the SMILES notation for 2-dimethylphosphanyl-N-methylethanamine?
The canonical SMILES for 2-dimethylphosphanyl-N-methylethanamine is CNCCP(C)C.
What is the InChIKey of 2-dimethylphosphanyl-N-methylethanamine?
The InChIKey is NSCMQPNCQZJACK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14NP/c1-6-4-5-7(2)3/h6H,4-5H2,1-3H3.
What are the key properties of 2-dimethylphosphanyl-N-methylethanamine?
2-dimethylphosphanyl-N-methylethanamine has a molecular weight of 119.15 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dimethylphosphanyl-N-methylethanamine is sourced from PubChem (CID 86052792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).