[[di(propan-2-yl)amino]-heptoxyphosphoryl]formonitrile

C14H29N2O2P — CID 583930

IUPAC[[di(propan-2-yl)amino]-heptoxyphosphoryl]formonitrile
SMILESCCCCCCCOP(=O)(C#N)N(C(C)C)C(C)C
InChIInChI=1S/C14H29N2O2P/c1-6-7-8-9-10-11-18-19(17,12-15)16(13(2)3)14(4)5/h13-14H,6-11H2,1-5H3
InChIKeyAEDSPCMOCJAEBK-UHFFFAOYSA-N
MW288.37 g/mol
LogP4.77
Rot. Bonds10

About [[di(propan-2-yl)amino]-heptoxyphosphoryl]formonitrile

[[di(propan-2-yl)amino]-heptoxyphosphoryl]formonitrile (PubChem CID 583930) has the molecular formula C14H29N2O2P and a molecular weight of 288.37 g/mol. Its IUPAC name is [[di(propan-2-yl)amino]-heptoxyphosphoryl]formonitrile.

Molecular Properties

Compound Name[[di(propan-2-yl)amino]-heptoxyphosphoryl]formonitrile
PubChem CID583930
Molecular FormulaC14H29N2O2P
Molecular Weight288.37 g/mol
Exact Mass288.20
IUPAC Name[[di(propan-2-yl)amino]-heptoxyphosphoryl]formonitrile
SMILESCCCCCCCOP(=O)(C#N)N(C(C)C)C(C)C
InChIInChI=1S/C14H29N2O2P/c1-6-7-8-9-10-11-18-19(17,12-15)16(13(2)3)14(4)5/h13-14H,6-11H2,1-5H3
InChIKeyAEDSPCMOCJAEBK-UHFFFAOYSA-N
XLogP4.77
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 54.77
H-Bond Donors ≤ 50
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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Related Compounds

[[ethyl(methyl)amino]-hexoxyphosphoryl]formonitrile
CID 86082434
[[methyl(propyl)amino]-octoxyphosphoryl]formonitrile
CID 170850595
[[ethyl(methyl)amino]-pentoxyphosphoryl]formonitrile
CID 86082433
1-[ethyl(octoxy)phosphoryl]oxyoctane
CID 574233
1-[dodecoxy(ethyl)phosphoryl]oxydodecane
CID 154323164
dodecyl dioctyl phosphate
CID 57134013
diheptyl hexyl phosphate
CID 175578950
dilithium;tetradecyl phosphate
CID 139820221
dilithium;octacosyl phosphate
CID 139820226
dilithium;tridecyl phosphate
CID 159999815
potassium tris-decyl phosphate
CID 21118666
diheptyl propyl phosphate
CID 22497721

Frequently Asked Questions

What is the IUPAC name of [[di(propan-2-yl)amino]-heptoxyphosphoryl]formonitrile?
The IUPAC name of [[di(propan-2-yl)amino]-heptoxyphosphoryl]formonitrile (CID 583930) is [[di(propan-2-yl)amino]-heptoxyphosphoryl]formonitrile.
What is the SMILES notation for [[di(propan-2-yl)amino]-heptoxyphosphoryl]formonitrile?
The canonical SMILES for [[di(propan-2-yl)amino]-heptoxyphosphoryl]formonitrile is CCCCCCCOP(=O)(C#N)N(C(C)C)C(C)C.
What is the InChIKey of [[di(propan-2-yl)amino]-heptoxyphosphoryl]formonitrile?
The InChIKey is AEDSPCMOCJAEBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N2O2P/c1-6-7-8-9-10-11-18-19(17,12-15)16(13(2)3)14(4)5/h13-14H,6-11H2,1-5H3.
What are the key properties of [[di(propan-2-yl)amino]-heptoxyphosphoryl]formonitrile?
[[di(propan-2-yl)amino]-heptoxyphosphoryl]formonitrile has a molecular weight of 288.37 g/mol, XLogP of 4.77, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [[di(propan-2-yl)amino]-heptoxyphosphoryl]formonitrile is sourced from PubChem (CID 583930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).