[2,4-dimethylpentan-3-yloxy-(dipropylamino)phosphoryl]formonitrile

C14H29N2O2P — CID 170850706

IUPAC[2,4-dimethylpentan-3-yloxy-(dipropylamino)phosphoryl]formonitrile
SMILESCCCN(CCC)P(=O)(C#N)OC(C(C)C)C(C)C
InChIInChI=1S/C14H29N2O2P/c1-7-9-16(10-8-2)19(17,11-15)18-14(12(3)4)13(5)6/h12-14H,7-10H2,1-6H3
InChIKeyGQBJRUZARNWPTH-UHFFFAOYSA-N
MW288.37 g/mol
LogP4.48
Rot. Bonds9

About [2,4-dimethylpentan-3-yloxy-(dipropylamino)phosphoryl]formonitrile

[2,4-dimethylpentan-3-yloxy-(dipropylamino)phosphoryl]formonitrile (PubChem CID 170850706) has the molecular formula C14H29N2O2P and a molecular weight of 288.37 g/mol. Its IUPAC name is [2,4-dimethylpentan-3-yloxy-(dipropylamino)phosphoryl]formonitrile.

Molecular Properties

Compound Name[2,4-dimethylpentan-3-yloxy-(dipropylamino)phosphoryl]formonitrile
PubChem CID170850706
Molecular FormulaC14H29N2O2P
Molecular Weight288.37 g/mol
Exact Mass288.20
IUPAC Name[2,4-dimethylpentan-3-yloxy-(dipropylamino)phosphoryl]formonitrile
SMILESCCCN(CCC)P(=O)(C#N)OC(C(C)C)C(C)C
InChIInChI=1S/C14H29N2O2P/c1-7-9-16(10-8-2)19(17,11-15)18-14(12(3)4)13(5)6/h12-14H,7-10H2,1-6H3
InChIKeyGQBJRUZARNWPTH-UHFFFAOYSA-N
XLogP4.48
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[3,3-dimethylbutan-2-yloxy-[propan-2-yl(propyl)amino]phosphoryl]formonitrile
CID 170850650
[decan-2-yloxy-[methyl(propyl)amino]phosphoryl]formonitrile
CID 170850854
[ethoxy-[ethyl(propan-2-yl)amino]phosphoryl]formonitrile
CID 86082466
N-dimethylphosphoryl-N-propylpropan-1-amine
CID 154336648
[[di(propan-2-yl)amino]-heptoxyphosphoryl]formonitrile
CID 583930
[[methyl(propyl)amino]-octoxyphosphoryl]formonitrile
CID 170850595
1-[bis(2,4-dimethylpentan-3-yloxy)phosphoryl]butan-1-one
CID 87699359
CID 175738104
CID 175738104
azane;[dimethylamino(ethoxy)phosphoryl]formonitrile
CID 175744163
N-[methoxy(propan-2-yloxy)phosphoryl]-N-methylpropan-1-amine
CID 170850992
[[ethyl(methyl)amino]-pentoxyphosphoryl]formonitrile
CID 86082433
[[ethyl(methyl)amino]-hexoxyphosphoryl]formonitrile
CID 86082434

Frequently Asked Questions

What is the IUPAC name of [2,4-dimethylpentan-3-yloxy-(dipropylamino)phosphoryl]formonitrile?
The IUPAC name of [2,4-dimethylpentan-3-yloxy-(dipropylamino)phosphoryl]formonitrile (CID 170850706) is [2,4-dimethylpentan-3-yloxy-(dipropylamino)phosphoryl]formonitrile.
What is the SMILES notation for [2,4-dimethylpentan-3-yloxy-(dipropylamino)phosphoryl]formonitrile?
The canonical SMILES for [2,4-dimethylpentan-3-yloxy-(dipropylamino)phosphoryl]formonitrile is CCCN(CCC)P(=O)(C#N)OC(C(C)C)C(C)C.
What is the InChIKey of [2,4-dimethylpentan-3-yloxy-(dipropylamino)phosphoryl]formonitrile?
The InChIKey is GQBJRUZARNWPTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N2O2P/c1-7-9-16(10-8-2)19(17,11-15)18-14(12(3)4)13(5)6/h12-14H,7-10H2,1-6H3.
What are the key properties of [2,4-dimethylpentan-3-yloxy-(dipropylamino)phosphoryl]formonitrile?
[2,4-dimethylpentan-3-yloxy-(dipropylamino)phosphoryl]formonitrile has a molecular weight of 288.37 g/mol, XLogP of 4.48, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2,4-dimethylpentan-3-yloxy-(dipropylamino)phosphoryl]formonitrile is sourced from PubChem (CID 170850706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).