ethane;N-[(Z)-2-propan-2-ylbut-2-enylidene]methanimidamide

C10H20N2 — CID 163255064

IUPACethane;N-[(Z)-2-propan-2-ylbut-2-enylidene]methanimidamide
SMILESCC.[H]/N=C/N=C/C(=C\C)C(C)C
InChIInChI=1S/C8H14N2.C2H6/c1-4-8(7(2)3)5-10-6-9;1-2/h4-7,9H,1-3H3;1-2H3/b8-4+,9-6+,10-5+;
InChIKeyZIFHUOYMTHSYGV-PHVIVCCLSA-N
MW168.28 g/mol
LogP3.29
Rot. Bonds3

About ethane;N-[(Z)-2-propan-2-ylbut-2-enylidene]methanimidamide

ethane;N-[(Z)-2-propan-2-ylbut-2-enylidene]methanimidamide (PubChem CID 163255064) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is ethane;N-[(Z)-2-propan-2-ylbut-2-enylidene]methanimidamide.

Molecular Properties

Compound Nameethane;N-[(Z)-2-propan-2-ylbut-2-enylidene]methanimidamide
PubChem CID163255064
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Nameethane;N-[(Z)-2-propan-2-ylbut-2-enylidene]methanimidamide
SMILESCC.[H]/N=C/N=C/C(=C\C)C(C)C
InChIInChI=1S/C8H14N2.C2H6/c1-4-8(7(2)3)5-10-6-9;1-2/h4-7,9H,1-3H3;1-2H3/b8-4+,9-6+,10-5+;
InChIKeyZIFHUOYMTHSYGV-PHVIVCCLSA-N
XLogP3.29
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;N-[(Z)-2-propan-2-ylbut-2-enylidene]methanimidamide?
The IUPAC name of ethane;N-[(Z)-2-propan-2-ylbut-2-enylidene]methanimidamide (CID 163255064) is ethane;N-[(Z)-2-propan-2-ylbut-2-enylidene]methanimidamide.
What is the SMILES notation for ethane;N-[(Z)-2-propan-2-ylbut-2-enylidene]methanimidamide?
The canonical SMILES for ethane;N-[(Z)-2-propan-2-ylbut-2-enylidene]methanimidamide is CC.[H]/N=C/N=C/C(=C\C)C(C)C.
What is the InChIKey of ethane;N-[(Z)-2-propan-2-ylbut-2-enylidene]methanimidamide?
The InChIKey is ZIFHUOYMTHSYGV-PHVIVCCLSA-N. The full InChI is InChI=1S/C8H14N2.C2H6/c1-4-8(7(2)3)5-10-6-9;1-2/h4-7,9H,1-3H3;1-2H3/b8-4+,9-6+,10-5+;.
What are the key properties of ethane;N-[(Z)-2-propan-2-ylbut-2-enylidene]methanimidamide?
ethane;N-[(Z)-2-propan-2-ylbut-2-enylidene]methanimidamide has a molecular weight of 168.28 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[(Z)-2-propan-2-ylbut-2-enylidene]methanimidamide is sourced from PubChem (CID 163255064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).