N-(dimethylphosphorylmethyl)ethanamine

C5H14NOP — CID 173087280

IUPACN-(dimethylphosphorylmethyl)ethanamine
SMILESCCNCP(C)(C)=O
InChIInChI=1S/C5H14NOP/c1-4-6-5-8(2,3)7/h6H,4-5H2,1-3H3
InChIKeyNXSMIZQIUSFHFT-UHFFFAOYSA-N
MW135.15 g/mol
LogP1.18
Rot. Bonds3

About N-(dimethylphosphorylmethyl)ethanamine

N-(dimethylphosphorylmethyl)ethanamine (PubChem CID 173087280) has the molecular formula C5H14NOP and a molecular weight of 135.15 g/mol. Its IUPAC name is N-(dimethylphosphorylmethyl)ethanamine.

Molecular Properties

Compound NameN-(dimethylphosphorylmethyl)ethanamine
PubChem CID173087280
Molecular FormulaC5H14NOP
Molecular Weight135.15 g/mol
Exact Mass135.08
IUPAC NameN-(dimethylphosphorylmethyl)ethanamine
SMILESCCNCP(C)(C)=O
InChIInChI=1S/C5H14NOP/c1-4-6-5-8(2,3)7/h6H,4-5H2,1-3H3
InChIKeyNXSMIZQIUSFHFT-UHFFFAOYSA-N
XLogP1.18
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.15
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(dimethylphosphorylmethyl)ethanamine?
The IUPAC name of N-(dimethylphosphorylmethyl)ethanamine (CID 173087280) is N-(dimethylphosphorylmethyl)ethanamine.
What is the SMILES notation for N-(dimethylphosphorylmethyl)ethanamine?
The canonical SMILES for N-(dimethylphosphorylmethyl)ethanamine is CCNCP(C)(C)=O.
What is the InChIKey of N-(dimethylphosphorylmethyl)ethanamine?
The InChIKey is NXSMIZQIUSFHFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14NOP/c1-4-6-5-8(2,3)7/h6H,4-5H2,1-3H3.
What are the key properties of N-(dimethylphosphorylmethyl)ethanamine?
N-(dimethylphosphorylmethyl)ethanamine has a molecular weight of 135.15 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dimethylphosphorylmethyl)ethanamine is sourced from PubChem (CID 173087280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).