3-[methylamino(propan-2-yl)phosphanyl]oxypropanenitrile

C7H15N2OP — CID 170055183

IUPAC3-[methylamino(propan-2-yl)phosphanyl]oxypropanenitrile
SMILESCNP(OCCC#N)C(C)C
InChIInChI=1S/C7H15N2OP/c1-7(2)11(9-3)10-6-4-5-8/h7,9H,4,6H2,1-3H3
InChIKeyKFFIXWNKRDXDCO-UHFFFAOYSA-N
MW174.18 g/mol
LogP1.86
Rot. Bonds5

About 3-[methylamino(propan-2-yl)phosphanyl]oxypropanenitrile

3-[methylamino(propan-2-yl)phosphanyl]oxypropanenitrile (PubChem CID 170055183) has the molecular formula C7H15N2OP and a molecular weight of 174.18 g/mol. Its IUPAC name is 3-[methylamino(propan-2-yl)phosphanyl]oxypropanenitrile.

Molecular Properties

Compound Name3-[methylamino(propan-2-yl)phosphanyl]oxypropanenitrile
PubChem CID170055183
Molecular FormulaC7H15N2OP
Molecular Weight174.18 g/mol
Exact Mass174.09
IUPAC Name3-[methylamino(propan-2-yl)phosphanyl]oxypropanenitrile
SMILESCNP(OCCC#N)C(C)C
InChIInChI=1S/C7H15N2OP/c1-7(2)11(9-3)10-6-4-5-8/h7,9H,4,6H2,1-3H3
InChIKeyKFFIXWNKRDXDCO-UHFFFAOYSA-N
XLogP1.86
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.18
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[methylamino(propan-2-yl)phosphanyl]oxypropanenitrile?
The IUPAC name of 3-[methylamino(propan-2-yl)phosphanyl]oxypropanenitrile (CID 170055183) is 3-[methylamino(propan-2-yl)phosphanyl]oxypropanenitrile.
What is the SMILES notation for 3-[methylamino(propan-2-yl)phosphanyl]oxypropanenitrile?
The canonical SMILES for 3-[methylamino(propan-2-yl)phosphanyl]oxypropanenitrile is CNP(OCCC#N)C(C)C.
What is the InChIKey of 3-[methylamino(propan-2-yl)phosphanyl]oxypropanenitrile?
The InChIKey is KFFIXWNKRDXDCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N2OP/c1-7(2)11(9-3)10-6-4-5-8/h7,9H,4,6H2,1-3H3.
What are the key properties of 3-[methylamino(propan-2-yl)phosphanyl]oxypropanenitrile?
3-[methylamino(propan-2-yl)phosphanyl]oxypropanenitrile has a molecular weight of 174.18 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methylamino(propan-2-yl)phosphanyl]oxypropanenitrile is sourced from PubChem (CID 170055183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).