acetylene;2-cyanoethoxy-N,N-di(propan-2-yl)phosphonamidous acid;ethane

C13H27N2O2P — CID 170710647

IUPACacetylene;2-cyanoethoxy-N,N-di(propan-2-yl)phosphonamidous acid;ethane
SMILESC#C.CC.CC(C)N(C(C)C)P(O)OCCC#N
InChIInChI=1S/C9H19N2O2P.C2H6.C2H2/c1-8(2)11(9(3)4)14(12)13-7-5-6-10;2*1-2/h8-9,12H,5,7H2,1-4H3;1-2H3;1-2H
InChIKeyHDCPYMXRLCXJBK-UHFFFAOYSA-N
MW274.34 g/mol
LogP3.53
Rot. Bonds6

About acetylene;2-cyanoethoxy-N,N-di(propan-2-yl)phosphonamidous acid;ethane

acetylene;2-cyanoethoxy-N,N-di(propan-2-yl)phosphonamidous acid;ethane (PubChem CID 170710647) has the molecular formula C13H27N2O2P and a molecular weight of 274.34 g/mol. Its IUPAC name is acetylene;2-cyanoethoxy-N,N-di(propan-2-yl)phosphonamidous acid;ethane.

Molecular Properties

Compound Nameacetylene;2-cyanoethoxy-N,N-di(propan-2-yl)phosphonamidous acid;ethane
PubChem CID170710647
Molecular FormulaC13H27N2O2P
Molecular Weight274.34 g/mol
Exact Mass274.18
IUPAC Nameacetylene;2-cyanoethoxy-N,N-di(propan-2-yl)phosphonamidous acid;ethane
SMILESC#C.CC.CC(C)N(C(C)C)P(O)OCCC#N
InChIInChI=1S/C9H19N2O2P.C2H6.C2H2/c1-8(2)11(9(3)4)14(12)13-7-5-6-10;2*1-2/h8-9,12H,5,7H2,1-4H3;1-2H3;1-2H
InChIKeyHDCPYMXRLCXJBK-UHFFFAOYSA-N
XLogP3.53
TPSA56.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze acetylene;2-cyanoethoxy-N,N-di(propan-2-yl)phosphonamidous acid;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-chloro-(2-cyanoethoxy)-N-[di(propan-2-yl)amino]phosphonamidous acid
CID 54224854
3-bis[di(propan-2-yl)amino]phosphanyloxypropanenitrile;ethane;N-propan-2-ylpropan-2-amine
CID 170630587
3-[[di(propan-2-yl)amino]-prop-2-ynoxyphosphanyl]oxypropanenitrile
CID 166792181
2-cyanoethoxy-N,N-di(propan-2-yl)phosphonamidous acid;bis([2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy-diphenylmethyl]benzene)
CID 87415692
3-[butoxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile
CID 46852394
3-[2-(dimethylamino)ethoxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile
CID 88576258
3-[[di(propan-2-yl)amino]-(2-ethylsulfonylethoxy)phosphanyl]oxypropanenitrile
CID 76660393
3-[2-deuterioethoxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile
CID 88572187
3-[[di(propan-2-yl)amino]-methoxyphosphanyl]oxypropanenitrile;methylhydrazine
CID 170783738
2-cyanoethoxy-N,N-di(propan-2-yl)phosphonamidous acid;4-ethenyl-2-pyrrolidin-1-ylpyrimidine
CID 176680723
3-iminopropoxy-N,N-di(propan-2-yl)phosphonamidous acid
CID 88915022
2-cyanoethoxy-N,N-di(propan-2-yl)phosphonamidous acid;4-(2,4-dioxopyrimidin-1-yl)butan-2-yloxy hypoiodite
CID 178082539

Frequently Asked Questions

What is the IUPAC name of acetylene;2-cyanoethoxy-N,N-di(propan-2-yl)phosphonamidous acid;ethane?
The IUPAC name of acetylene;2-cyanoethoxy-N,N-di(propan-2-yl)phosphonamidous acid;ethane (CID 170710647) is acetylene;2-cyanoethoxy-N,N-di(propan-2-yl)phosphonamidous acid;ethane.
What is the SMILES notation for acetylene;2-cyanoethoxy-N,N-di(propan-2-yl)phosphonamidous acid;ethane?
The canonical SMILES for acetylene;2-cyanoethoxy-N,N-di(propan-2-yl)phosphonamidous acid;ethane is C#C.CC.CC(C)N(C(C)C)P(O)OCCC#N.
What is the InChIKey of acetylene;2-cyanoethoxy-N,N-di(propan-2-yl)phosphonamidous acid;ethane?
The InChIKey is HDCPYMXRLCXJBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N2O2P.C2H6.C2H2/c1-8(2)11(9(3)4)14(12)13-7-5-6-10;2*1-2/h8-9,12H,5,7H2,1-4H3;1-2H3;1-2H.
What are the key properties of acetylene;2-cyanoethoxy-N,N-di(propan-2-yl)phosphonamidous acid;ethane?
acetylene;2-cyanoethoxy-N,N-di(propan-2-yl)phosphonamidous acid;ethane has a molecular weight of 274.34 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;2-cyanoethoxy-N,N-di(propan-2-yl)phosphonamidous acid;ethane is sourced from PubChem (CID 170710647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).