ethane;(Z)-N-ethenyl-2-propan-2-ylpent-2-en-1-imine

C12H23N — CID 144970666

IUPACethane;(Z)-N-ethenyl-2-propan-2-ylpent-2-en-1-imine
SMILESC=C/N=C/C(=C\CC)C(C)C.CC
InChIInChI=1S/C10H17N.C2H6/c1-5-7-10(9(3)4)8-11-6-2;1-2/h6-9H,2,5H2,1,3-4H3;1-2H3/b10-7+,11-8+;
InChIKeyMTJYCAQUGARVAH-YXFMPUTOSA-N
MW181.32 g/mol
LogP4.22
Rot. Bonds4

About ethane;(Z)-N-ethenyl-2-propan-2-ylpent-2-en-1-imine

ethane;(Z)-N-ethenyl-2-propan-2-ylpent-2-en-1-imine (PubChem CID 144970666) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is ethane;(Z)-N-ethenyl-2-propan-2-ylpent-2-en-1-imine.

Molecular Properties

Compound Nameethane;(Z)-N-ethenyl-2-propan-2-ylpent-2-en-1-imine
PubChem CID144970666
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Nameethane;(Z)-N-ethenyl-2-propan-2-ylpent-2-en-1-imine
SMILESC=C/N=C/C(=C\CC)C(C)C.CC
InChIInChI=1S/C10H17N.C2H6/c1-5-7-10(9(3)4)8-11-6-2;1-2/h6-9H,2,5H2,1,3-4H3;1-2H3/b10-7+,11-8+;
InChIKeyMTJYCAQUGARVAH-YXFMPUTOSA-N
XLogP4.22
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 54.22
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;(Z)-N-ethenyl-2-propan-2-ylpent-2-en-1-imine?
The IUPAC name of ethane;(Z)-N-ethenyl-2-propan-2-ylpent-2-en-1-imine (CID 144970666) is ethane;(Z)-N-ethenyl-2-propan-2-ylpent-2-en-1-imine.
What is the SMILES notation for ethane;(Z)-N-ethenyl-2-propan-2-ylpent-2-en-1-imine?
The canonical SMILES for ethane;(Z)-N-ethenyl-2-propan-2-ylpent-2-en-1-imine is C=C/N=C/C(=C\CC)C(C)C.CC.
What is the InChIKey of ethane;(Z)-N-ethenyl-2-propan-2-ylpent-2-en-1-imine?
The InChIKey is MTJYCAQUGARVAH-YXFMPUTOSA-N. The full InChI is InChI=1S/C10H17N.C2H6/c1-5-7-10(9(3)4)8-11-6-2;1-2/h6-9H,2,5H2,1,3-4H3;1-2H3/b10-7+,11-8+;.
What are the key properties of ethane;(Z)-N-ethenyl-2-propan-2-ylpent-2-en-1-imine?
ethane;(Z)-N-ethenyl-2-propan-2-ylpent-2-en-1-imine has a molecular weight of 181.32 g/mol, XLogP of 4.22, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(Z)-N-ethenyl-2-propan-2-ylpent-2-en-1-imine is sourced from PubChem (CID 144970666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).