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

C8H16N3P — CID 12022958

IUPAC[[di(propan-2-yl)amino]-methanimidoylphosphanyl]formonitrile
SMILES[H]/N=C/P(C#N)N(C(C)C)C(C)C
InChIInChI=1S/C8H16N3P/c1-7(2)11(8(3)4)12(5-9)6-10/h5,7-9H,1-4H3/b9-5+
InChIKeyJYNWAXHZZRUPGI-WEVVVXLNSA-N
MW185.21 g/mol
LogP2.59
Rot. Bonds4

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

[[di(propan-2-yl)amino]-methanimidoylphosphanyl]formonitrile (PubChem CID 12022958) has the molecular formula C8H16N3P and a molecular weight of 185.21 g/mol. Its IUPAC name is [[di(propan-2-yl)amino]-methanimidoylphosphanyl]formonitrile.

Molecular Properties

Compound Name[[di(propan-2-yl)amino]-methanimidoylphosphanyl]formonitrile
PubChem CID12022958
Molecular FormulaC8H16N3P
Molecular Weight185.21 g/mol
Exact Mass185.11
IUPAC Name[[di(propan-2-yl)amino]-methanimidoylphosphanyl]formonitrile
SMILES[H]/N=C/P(C#N)N(C(C)C)C(C)C
InChIInChI=1S/C8H16N3P/c1-7(2)11(8(3)4)12(5-9)6-10/h5,7-9H,1-4H3/b9-5+
InChIKeyJYNWAXHZZRUPGI-WEVVVXLNSA-N
XLogP2.59
TPSA50.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.21
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

N,N-di(propan-2-yl)methanimidamide
CID 19782034
N-[chloro(3-iminopropoxy)phosphanyl]-N-propan-2-ylpropan-2-amine
CID 91416511
3-iminopropoxy-N,N-di(propan-2-yl)phosphonamidous acid
CID 88915022
4-[[di(propan-2-yl)amino]-propylphosphanyl]butanenitrile
CID 166822142
(E)-3-[di(propan-2-yl)amino]prop-2-enenitrile
CID 5368921
3-[chloro-[di(propan-2-yl)amino]phosphanyl]oxyprop-2-enenitrile
CID 142728419
N-[(Z)-ethylideneamino]-N-propan-2-ylmethanimidamide
CID 166820819
6-[di(propan-2-yl)amino]hex-5-enenitrile
CID 87406009
acetylene;2-cyanoethoxy-N,N-di(propan-2-yl)phosphonamidous acid;ethane
CID 170710647
N-[[di(propan-2-yl)amino]-iodophosphanyl]-N-propan-2-ylpropan-2-amine
CID 14296264
2-methylpropanedinitrile
CID 19425
3-[[di(propan-2-yl)amino]-[1-(1-methoxyethoxy)ethoxy]phosphanyl]propanenitrile
CID 87149823

Frequently Asked Questions

What is the IUPAC name of [[di(propan-2-yl)amino]-methanimidoylphosphanyl]formonitrile?
The IUPAC name of [[di(propan-2-yl)amino]-methanimidoylphosphanyl]formonitrile (CID 12022958) is [[di(propan-2-yl)amino]-methanimidoylphosphanyl]formonitrile.
What is the SMILES notation for [[di(propan-2-yl)amino]-methanimidoylphosphanyl]formonitrile?
The canonical SMILES for [[di(propan-2-yl)amino]-methanimidoylphosphanyl]formonitrile is [H]/N=C/P(C#N)N(C(C)C)C(C)C.
What is the InChIKey of [[di(propan-2-yl)amino]-methanimidoylphosphanyl]formonitrile?
The InChIKey is JYNWAXHZZRUPGI-WEVVVXLNSA-N. The full InChI is InChI=1S/C8H16N3P/c1-7(2)11(8(3)4)12(5-9)6-10/h5,7-9H,1-4H3/b9-5+.
What are the key properties of [[di(propan-2-yl)amino]-methanimidoylphosphanyl]formonitrile?
[[di(propan-2-yl)amino]-methanimidoylphosphanyl]formonitrile has a molecular weight of 185.21 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [[di(propan-2-yl)amino]-methanimidoylphosphanyl]formonitrile is sourced from PubChem (CID 12022958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).