(E)-2-ethenyl-N-(2-iminobut-3-enyl)hex-4-en-1-amine

C12H20N2 — CID 155015228

IUPAC(E)-2-ethenyl-N-(2-iminobut-3-enyl)hex-4-en-1-amine
SMILES[H]/N=C(\C=C)CNCC(C=C)C/C=C/C
InChIInChI=1S/C12H20N2/c1-4-7-8-11(5-2)9-14-10-12(13)6-3/h4-7,11,13-14H,2-3,8-10H2,1H3/b7-4+,13-12+
InChIKeyFCNDLCPWYJCUOK-RTYMFESYSA-N
MW192.31 g/mol
LogP2.55
Rot. Bonds8

About (E)-2-ethenyl-N-(2-iminobut-3-enyl)hex-4-en-1-amine

(E)-2-ethenyl-N-(2-iminobut-3-enyl)hex-4-en-1-amine (PubChem CID 155015228) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is (E)-2-ethenyl-N-(2-iminobut-3-enyl)hex-4-en-1-amine.

Molecular Properties

Compound Name(E)-2-ethenyl-N-(2-iminobut-3-enyl)hex-4-en-1-amine
PubChem CID155015228
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name(E)-2-ethenyl-N-(2-iminobut-3-enyl)hex-4-en-1-amine
SMILES[H]/N=C(\C=C)CNCC(C=C)C/C=C/C
InChIInChI=1S/C12H20N2/c1-4-7-8-11(5-2)9-14-10-12(13)6-3/h4-7,11,13-14H,2-3,8-10H2,1H3/b7-4+,13-12+
InChIKeyFCNDLCPWYJCUOK-RTYMFESYSA-N
XLogP2.55
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-2-ethenyl-N-(2-iminobut-3-enyl)hex-4-en-1-amine?
The IUPAC name of (E)-2-ethenyl-N-(2-iminobut-3-enyl)hex-4-en-1-amine (CID 155015228) is (E)-2-ethenyl-N-(2-iminobut-3-enyl)hex-4-en-1-amine.
What is the SMILES notation for (E)-2-ethenyl-N-(2-iminobut-3-enyl)hex-4-en-1-amine?
The canonical SMILES for (E)-2-ethenyl-N-(2-iminobut-3-enyl)hex-4-en-1-amine is [H]/N=C(\C=C)CNCC(C=C)C/C=C/C.
What is the InChIKey of (E)-2-ethenyl-N-(2-iminobut-3-enyl)hex-4-en-1-amine?
The InChIKey is FCNDLCPWYJCUOK-RTYMFESYSA-N. The full InChI is InChI=1S/C12H20N2/c1-4-7-8-11(5-2)9-14-10-12(13)6-3/h4-7,11,13-14H,2-3,8-10H2,1H3/b7-4+,13-12+.
What are the key properties of (E)-2-ethenyl-N-(2-iminobut-3-enyl)hex-4-en-1-amine?
(E)-2-ethenyl-N-(2-iminobut-3-enyl)hex-4-en-1-amine has a molecular weight of 192.31 g/mol, XLogP of 2.55, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-ethenyl-N-(2-iminobut-3-enyl)hex-4-en-1-amine is sourced from PubChem (CID 155015228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).