(E)-4-methoxy-N-propan-2-ylpent-2-en-1-imine

C9H17NO — CID 126629703

IUPAC(E)-4-methoxy-N-propan-2-ylpent-2-en-1-imine
SMILESCOC(C)/C=C/C=N/C(C)C
InChIInChI=1S/C9H17NO/c1-8(2)10-7-5-6-9(3)11-4/h5-9H,1-4H3/b6-5+,10-7+
InChIKeyHCDSWEMMYUUKRM-WEYXYWBQSA-N
MW155.24 g/mol
LogP2.06
Rot. Bonds4

About (E)-4-methoxy-N-propan-2-ylpent-2-en-1-imine

(E)-4-methoxy-N-propan-2-ylpent-2-en-1-imine (PubChem CID 126629703) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is (E)-4-methoxy-N-propan-2-ylpent-2-en-1-imine.

Molecular Properties

Compound Name(E)-4-methoxy-N-propan-2-ylpent-2-en-1-imine
PubChem CID126629703
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name(E)-4-methoxy-N-propan-2-ylpent-2-en-1-imine
SMILESCOC(C)/C=C/C=N/C(C)C
InChIInChI=1S/C9H17NO/c1-8(2)10-7-5-6-9(3)11-4/h5-9H,1-4H3/b6-5+,10-7+
InChIKeyHCDSWEMMYUUKRM-WEYXYWBQSA-N
XLogP2.06
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 (E)-4-methoxy-N-propan-2-ylpent-2-en-1-imine?
The IUPAC name of (E)-4-methoxy-N-propan-2-ylpent-2-en-1-imine (CID 126629703) is (E)-4-methoxy-N-propan-2-ylpent-2-en-1-imine.
What is the SMILES notation for (E)-4-methoxy-N-propan-2-ylpent-2-en-1-imine?
The canonical SMILES for (E)-4-methoxy-N-propan-2-ylpent-2-en-1-imine is COC(C)/C=C/C=N/C(C)C.
What is the InChIKey of (E)-4-methoxy-N-propan-2-ylpent-2-en-1-imine?
The InChIKey is HCDSWEMMYUUKRM-WEYXYWBQSA-N. The full InChI is InChI=1S/C9H17NO/c1-8(2)10-7-5-6-9(3)11-4/h5-9H,1-4H3/b6-5+,10-7+.
What are the key properties of (E)-4-methoxy-N-propan-2-ylpent-2-en-1-imine?
(E)-4-methoxy-N-propan-2-ylpent-2-en-1-imine has a molecular weight of 155.24 g/mol, XLogP of 2.06, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-methoxy-N-propan-2-ylpent-2-en-1-imine is sourced from PubChem (CID 126629703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).