ethane;3-N-[(Z)-prop-1-enyl]butane-2,3-diimine

C9H18N2 — CID 143985550

IUPACethane;3-N-[(Z)-prop-1-enyl]butane-2,3-diimine
SMILESCC.[H]/N=C(C)/C(C)=N/C=C\C
InChIInChI=1S/C7H12N2.C2H6/c1-4-5-9-7(3)6(2)8;1-2/h4-5,8H,1-3H3;1-2H3/b5-4-,8-6+,9-7+;
InChIKeyZHAZNSRNMUAIPQ-NBACPMTBSA-N
MW154.26 g/mol
LogP3.05
Rot. Bonds2

About ethane;3-N-[(Z)-prop-1-enyl]butane-2,3-diimine

ethane;3-N-[(Z)-prop-1-enyl]butane-2,3-diimine (PubChem CID 143985550) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is ethane;3-N-[(Z)-prop-1-enyl]butane-2,3-diimine.

Molecular Properties

Compound Nameethane;3-N-[(Z)-prop-1-enyl]butane-2,3-diimine
PubChem CID143985550
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Nameethane;3-N-[(Z)-prop-1-enyl]butane-2,3-diimine
SMILESCC.[H]/N=C(C)/C(C)=N/C=C\C
InChIInChI=1S/C7H12N2.C2H6/c1-4-5-9-7(3)6(2)8;1-2/h4-5,8H,1-3H3;1-2H3/b5-4-,8-6+,9-7+;
InChIKeyZHAZNSRNMUAIPQ-NBACPMTBSA-N
XLogP3.05
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;3-N-[(Z)-prop-1-enyl]butane-2,3-diimine?
The IUPAC name of ethane;3-N-[(Z)-prop-1-enyl]butane-2,3-diimine (CID 143985550) is ethane;3-N-[(Z)-prop-1-enyl]butane-2,3-diimine.
What is the SMILES notation for ethane;3-N-[(Z)-prop-1-enyl]butane-2,3-diimine?
The canonical SMILES for ethane;3-N-[(Z)-prop-1-enyl]butane-2,3-diimine is CC.[H]/N=C(C)/C(C)=N/C=C\C.
What is the InChIKey of ethane;3-N-[(Z)-prop-1-enyl]butane-2,3-diimine?
The InChIKey is ZHAZNSRNMUAIPQ-NBACPMTBSA-N. The full InChI is InChI=1S/C7H12N2.C2H6/c1-4-5-9-7(3)6(2)8;1-2/h4-5,8H,1-3H3;1-2H3/b5-4-,8-6+,9-7+;.
What are the key properties of ethane;3-N-[(Z)-prop-1-enyl]butane-2,3-diimine?
ethane;3-N-[(Z)-prop-1-enyl]butane-2,3-diimine has a molecular weight of 154.26 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-N-[(Z)-prop-1-enyl]butane-2,3-diimine is sourced from PubChem (CID 143985550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).