[tert-butyl-[(dimethylamino)methyl]phosphanyl]formonitrile

C8H17N2P — CID 12782596

IUPAC[tert-butyl-[(dimethylamino)methyl]phosphanyl]formonitrile
SMILESCN(C)CP(C#N)C(C)(C)C
InChIInChI=1S/C8H17N2P/c1-8(2,3)11(6-9)7-10(4)5/h7H2,1-5H3
InChIKeyOVBFKRLJSPQUPU-UHFFFAOYSA-N
MW172.21 g/mol
LogP2.27
Rot. Bonds2

About [tert-butyl-[(dimethylamino)methyl]phosphanyl]formonitrile

[tert-butyl-[(dimethylamino)methyl]phosphanyl]formonitrile (PubChem CID 12782596) has the molecular formula C8H17N2P and a molecular weight of 172.21 g/mol. Its IUPAC name is [tert-butyl-[(dimethylamino)methyl]phosphanyl]formonitrile.

Molecular Properties

Compound Name[tert-butyl-[(dimethylamino)methyl]phosphanyl]formonitrile
PubChem CID12782596
Molecular FormulaC8H17N2P
Molecular Weight172.21 g/mol
Exact Mass172.11
IUPAC Name[tert-butyl-[(dimethylamino)methyl]phosphanyl]formonitrile
SMILESCN(C)CP(C#N)C(C)(C)C
InChIInChI=1S/C8H17N2P/c1-8(2,3)11(6-9)7-10(4)5/h7H2,1-5H3
InChIKeyOVBFKRLJSPQUPU-UHFFFAOYSA-N
XLogP2.27
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.21
LogP ≤ 52.27
H-Bond Donors ≤ 50
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 [tert-butyl-[(dimethylamino)methyl]phosphanyl]formonitrile?
The IUPAC name of [tert-butyl-[(dimethylamino)methyl]phosphanyl]formonitrile (CID 12782596) is [tert-butyl-[(dimethylamino)methyl]phosphanyl]formonitrile.
What is the SMILES notation for [tert-butyl-[(dimethylamino)methyl]phosphanyl]formonitrile?
The canonical SMILES for [tert-butyl-[(dimethylamino)methyl]phosphanyl]formonitrile is CN(C)CP(C#N)C(C)(C)C.
What is the InChIKey of [tert-butyl-[(dimethylamino)methyl]phosphanyl]formonitrile?
The InChIKey is OVBFKRLJSPQUPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N2P/c1-8(2,3)11(6-9)7-10(4)5/h7H2,1-5H3.
What are the key properties of [tert-butyl-[(dimethylamino)methyl]phosphanyl]formonitrile?
[tert-butyl-[(dimethylamino)methyl]phosphanyl]formonitrile has a molecular weight of 172.21 g/mol, XLogP of 2.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [tert-butyl-[(dimethylamino)methyl]phosphanyl]formonitrile is sourced from PubChem (CID 12782596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).