ethane;N-[(Z)-pent-2-en-3-yl]methanimine

C8H17N — CID 143529610

IUPACethane;N-[(Z)-pent-2-en-3-yl]methanimine
SMILESC=N/C(=C\C)CC.CC
InChIInChI=1S/C6H11N.C2H6/c1-4-6(5-2)7-3;1-2/h4H,3,5H2,1-2H3;1-2H3/b6-4-;
InChIKeyYBBZWXSPHJWXQG-YHSAGPEESA-N
MW127.23 g/mol
LogP3.03
Rot. Bonds2

About ethane;N-[(Z)-pent-2-en-3-yl]methanimine

ethane;N-[(Z)-pent-2-en-3-yl]methanimine (PubChem CID 143529610) has the molecular formula C8H17N and a molecular weight of 127.23 g/mol. Its IUPAC name is ethane;N-[(Z)-pent-2-en-3-yl]methanimine.

Molecular Properties

Compound Nameethane;N-[(Z)-pent-2-en-3-yl]methanimine
PubChem CID143529610
Molecular FormulaC8H17N
Molecular Weight127.23 g/mol
Exact Mass127.14
IUPAC Nameethane;N-[(Z)-pent-2-en-3-yl]methanimine
SMILESC=N/C(=C\C)CC.CC
InChIInChI=1S/C6H11N.C2H6/c1-4-6(5-2)7-3;1-2/h4H,3,5H2,1-2H3;1-2H3/b6-4-;
InChIKeyYBBZWXSPHJWXQG-YHSAGPEESA-N
XLogP3.03
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.23
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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;N-[(Z)-pent-2-en-3-yl]methanimine?
The IUPAC name of ethane;N-[(Z)-pent-2-en-3-yl]methanimine (CID 143529610) is ethane;N-[(Z)-pent-2-en-3-yl]methanimine.
What is the SMILES notation for ethane;N-[(Z)-pent-2-en-3-yl]methanimine?
The canonical SMILES for ethane;N-[(Z)-pent-2-en-3-yl]methanimine is C=N/C(=C\C)CC.CC.
What is the InChIKey of ethane;N-[(Z)-pent-2-en-3-yl]methanimine?
The InChIKey is YBBZWXSPHJWXQG-YHSAGPEESA-N. The full InChI is InChI=1S/C6H11N.C2H6/c1-4-6(5-2)7-3;1-2/h4H,3,5H2,1-2H3;1-2H3/b6-4-;.
What are the key properties of ethane;N-[(Z)-pent-2-en-3-yl]methanimine?
ethane;N-[(Z)-pent-2-en-3-yl]methanimine has a molecular weight of 127.23 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[(Z)-pent-2-en-3-yl]methanimine is sourced from PubChem (CID 143529610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).