ethane;2-N-[(Z)-prop-1-enyl]propane-1,2-diimine

C10H22N2 — CID 143570836

IUPACethane;2-N-[(Z)-prop-1-enyl]propane-1,2-diimine
SMILESCC.CC.[H]/N=C/C(C)=N/C=C\C
InChIInChI=1S/C6H10N2.2C2H6/c1-3-4-8-6(2)5-7;2*1-2/h3-5,7H,1-2H3;2*1-2H3/b4-3-,7-5+,8-6+;;
InChIKeyCQKUVJOPENLVMK-KEMJTJDISA-N
MW170.30 g/mol
LogP3.68
Rot. Bonds2

About ethane;2-N-[(Z)-prop-1-enyl]propane-1,2-diimine

ethane;2-N-[(Z)-prop-1-enyl]propane-1,2-diimine (PubChem CID 143570836) has the molecular formula C10H22N2 and a molecular weight of 170.30 g/mol. Its IUPAC name is ethane;2-N-[(Z)-prop-1-enyl]propane-1,2-diimine.

Molecular Properties

Compound Nameethane;2-N-[(Z)-prop-1-enyl]propane-1,2-diimine
PubChem CID143570836
Molecular FormulaC10H22N2
Molecular Weight170.30 g/mol
Exact Mass170.18
IUPAC Nameethane;2-N-[(Z)-prop-1-enyl]propane-1,2-diimine
SMILESCC.CC.[H]/N=C/C(C)=N/C=C\C
InChIInChI=1S/C6H10N2.2C2H6/c1-3-4-8-6(2)5-7;2*1-2/h3-5,7H,1-2H3;2*1-2H3/b4-3-,7-5+,8-6+;;
InChIKeyCQKUVJOPENLVMK-KEMJTJDISA-N
XLogP3.68
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;2-N-[(Z)-prop-1-enyl]propane-1,2-diimine?
The IUPAC name of ethane;2-N-[(Z)-prop-1-enyl]propane-1,2-diimine (CID 143570836) is ethane;2-N-[(Z)-prop-1-enyl]propane-1,2-diimine.
What is the SMILES notation for ethane;2-N-[(Z)-prop-1-enyl]propane-1,2-diimine?
The canonical SMILES for ethane;2-N-[(Z)-prop-1-enyl]propane-1,2-diimine is CC.CC.[H]/N=C/C(C)=N/C=C\C.
What is the InChIKey of ethane;2-N-[(Z)-prop-1-enyl]propane-1,2-diimine?
The InChIKey is CQKUVJOPENLVMK-KEMJTJDISA-N. The full InChI is InChI=1S/C6H10N2.2C2H6/c1-3-4-8-6(2)5-7;2*1-2/h3-5,7H,1-2H3;2*1-2H3/b4-3-,7-5+,8-6+;;.
What are the key properties of ethane;2-N-[(Z)-prop-1-enyl]propane-1,2-diimine?
ethane;2-N-[(Z)-prop-1-enyl]propane-1,2-diimine has a molecular weight of 170.30 g/mol, XLogP of 3.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-N-[(Z)-prop-1-enyl]propane-1,2-diimine is sourced from PubChem (CID 143570836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).