(E)-5-propan-2-ylimino-3-[(E)-prop-1-enyl]hex-3-en-2-amine

C12H22N2 — CID 138702940

IUPAC(E)-5-propan-2-ylimino-3-[(E)-prop-1-enyl]hex-3-en-2-amine
SMILESC/C=C/C(=C\C(C)=N\C(C)C)C(C)N
InChIInChI=1S/C12H22N2/c1-6-7-12(11(5)13)8-10(4)14-9(2)3/h6-9,11H,13H2,1-5H3/b7-6+,12-8+,14-10+
InChIKeyHSIPDXREDAZXAM-KDXRDGMUSA-N
MW194.32 g/mol
LogP2.71
Rot. Bonds4

About (E)-5-propan-2-ylimino-3-[(E)-prop-1-enyl]hex-3-en-2-amine

(E)-5-propan-2-ylimino-3-[(E)-prop-1-enyl]hex-3-en-2-amine (PubChem CID 138702940) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is (E)-5-propan-2-ylimino-3-[(E)-prop-1-enyl]hex-3-en-2-amine.

Molecular Properties

Compound Name(E)-5-propan-2-ylimino-3-[(E)-prop-1-enyl]hex-3-en-2-amine
PubChem CID138702940
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name(E)-5-propan-2-ylimino-3-[(E)-prop-1-enyl]hex-3-en-2-amine
SMILESC/C=C/C(=C\C(C)=N\C(C)C)C(C)N
InChIInChI=1S/C12H22N2/c1-6-7-12(11(5)13)8-10(4)14-9(2)3/h6-9,11H,13H2,1-5H3/b7-6+,12-8+,14-10+
InChIKeyHSIPDXREDAZXAM-KDXRDGMUSA-N
XLogP2.71
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-5-propan-2-ylimino-3-[(E)-prop-1-enyl]hex-3-en-2-amine?
The IUPAC name of (E)-5-propan-2-ylimino-3-[(E)-prop-1-enyl]hex-3-en-2-amine (CID 138702940) is (E)-5-propan-2-ylimino-3-[(E)-prop-1-enyl]hex-3-en-2-amine.
What is the SMILES notation for (E)-5-propan-2-ylimino-3-[(E)-prop-1-enyl]hex-3-en-2-amine?
The canonical SMILES for (E)-5-propan-2-ylimino-3-[(E)-prop-1-enyl]hex-3-en-2-amine is C/C=C/C(=C\C(C)=N\C(C)C)C(C)N.
What is the InChIKey of (E)-5-propan-2-ylimino-3-[(E)-prop-1-enyl]hex-3-en-2-amine?
The InChIKey is HSIPDXREDAZXAM-KDXRDGMUSA-N. The full InChI is InChI=1S/C12H22N2/c1-6-7-12(11(5)13)8-10(4)14-9(2)3/h6-9,11H,13H2,1-5H3/b7-6+,12-8+,14-10+.
What are the key properties of (E)-5-propan-2-ylimino-3-[(E)-prop-1-enyl]hex-3-en-2-amine?
(E)-5-propan-2-ylimino-3-[(E)-prop-1-enyl]hex-3-en-2-amine has a molecular weight of 194.32 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-propan-2-ylimino-3-[(E)-prop-1-enyl]hex-3-en-2-amine is sourced from PubChem (CID 138702940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).