2-cyanoethyl-N,N-di(propan-2-yl)phosphonamidous acid

C9H19N2OP — CID 11138145

IUPAC2-cyanoethyl-N,N-di(propan-2-yl)phosphonamidous acid
SMILESCC(C)N(C(C)C)P(O)CCC#N
InChIInChI=1S/C9H19N2OP/c1-8(2)11(9(3)4)13(12)7-5-6-10/h8-9,12H,5,7H2,1-4H3
InChIKeyIPEQPGOTCGZUKF-UHFFFAOYSA-N
MW202.24 g/mol
LogP2.32
Rot. Bonds5

About 2-cyanoethyl-N,N-di(propan-2-yl)phosphonamidous acid

2-cyanoethyl-N,N-di(propan-2-yl)phosphonamidous acid (PubChem CID 11138145) has the molecular formula C9H19N2OP and a molecular weight of 202.24 g/mol. Its IUPAC name is 2-cyanoethyl-N,N-di(propan-2-yl)phosphonamidous acid.

Molecular Properties

Compound Name2-cyanoethyl-N,N-di(propan-2-yl)phosphonamidous acid
PubChem CID11138145
Molecular FormulaC9H19N2OP
Molecular Weight202.24 g/mol
Exact Mass202.12
IUPAC Name2-cyanoethyl-N,N-di(propan-2-yl)phosphonamidous acid
SMILESCC(C)N(C(C)C)P(O)CCC#N
InChIInChI=1S/C9H19N2OP/c1-8(2)11(9(3)4)13(12)7-5-6-10/h8-9,12H,5,7H2,1-4H3
InChIKeyIPEQPGOTCGZUKF-UHFFFAOYSA-N
XLogP2.32
TPSA47.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.24
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-cyanoethyl-N,N-di(propan-2-yl)phosphonamidous acid?
The IUPAC name of 2-cyanoethyl-N,N-di(propan-2-yl)phosphonamidous acid (CID 11138145) is 2-cyanoethyl-N,N-di(propan-2-yl)phosphonamidous acid.
What is the SMILES notation for 2-cyanoethyl-N,N-di(propan-2-yl)phosphonamidous acid?
The canonical SMILES for 2-cyanoethyl-N,N-di(propan-2-yl)phosphonamidous acid is CC(C)N(C(C)C)P(O)CCC#N.
What is the InChIKey of 2-cyanoethyl-N,N-di(propan-2-yl)phosphonamidous acid?
The InChIKey is IPEQPGOTCGZUKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N2OP/c1-8(2)11(9(3)4)13(12)7-5-6-10/h8-9,12H,5,7H2,1-4H3.
What are the key properties of 2-cyanoethyl-N,N-di(propan-2-yl)phosphonamidous acid?
2-cyanoethyl-N,N-di(propan-2-yl)phosphonamidous acid has a molecular weight of 202.24 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyanoethyl-N,N-di(propan-2-yl)phosphonamidous acid is sourced from PubChem (CID 11138145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).