ethane;N,3,4-trimethylpent-3-en-2-imine

C10H21N — CID 143758687

IUPACethane;N,3,4-trimethylpent-3-en-2-imine
SMILESC/N=C(\C)C(C)=C(C)C.CC
InChIInChI=1S/C8H15N.C2H6/c1-6(2)7(3)8(4)9-5;1-2/h1-5H3;1-2H3/b9-8+;
InChIKeyVVWKJJFPUFBLOY-HRNDJLQDSA-N
MW155.28 g/mol
LogP3.46
Rot. Bonds1

About ethane;N,3,4-trimethylpent-3-en-2-imine

ethane;N,3,4-trimethylpent-3-en-2-imine (PubChem CID 143758687) has the molecular formula C10H21N and a molecular weight of 155.28 g/mol. Its IUPAC name is ethane;N,3,4-trimethylpent-3-en-2-imine.

Molecular Properties

Compound Nameethane;N,3,4-trimethylpent-3-en-2-imine
PubChem CID143758687
Molecular FormulaC10H21N
Molecular Weight155.28 g/mol
Exact Mass155.17
IUPAC Nameethane;N,3,4-trimethylpent-3-en-2-imine
SMILESC/N=C(\C)C(C)=C(C)C.CC
InChIInChI=1S/C8H15N.C2H6/c1-6(2)7(3)8(4)9-5;1-2/h1-5H3;1-2H3/b9-8+;
InChIKeyVVWKJJFPUFBLOY-HRNDJLQDSA-N
XLogP3.46
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.28
LogP ≤ 53.46
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,3,4-trimethylpent-3-en-2-imine?
The IUPAC name of ethane;N,3,4-trimethylpent-3-en-2-imine (CID 143758687) is ethane;N,3,4-trimethylpent-3-en-2-imine.
What is the SMILES notation for ethane;N,3,4-trimethylpent-3-en-2-imine?
The canonical SMILES for ethane;N,3,4-trimethylpent-3-en-2-imine is C/N=C(\C)C(C)=C(C)C.CC.
What is the InChIKey of ethane;N,3,4-trimethylpent-3-en-2-imine?
The InChIKey is VVWKJJFPUFBLOY-HRNDJLQDSA-N. The full InChI is InChI=1S/C8H15N.C2H6/c1-6(2)7(3)8(4)9-5;1-2/h1-5H3;1-2H3/b9-8+;.
What are the key properties of ethane;N,3,4-trimethylpent-3-en-2-imine?
ethane;N,3,4-trimethylpent-3-en-2-imine has a molecular weight of 155.28 g/mol, XLogP of 3.46, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N,3,4-trimethylpent-3-en-2-imine is sourced from PubChem (CID 143758687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).