(E)-N-[(E)-but-2-en-2-yl]-2-ethenylbut-2-en-1-amine

C10H17N — CID 126544641

IUPAC(E)-N-[(E)-but-2-en-2-yl]-2-ethenylbut-2-en-1-amine
SMILESC=C/C(=C\C)CN/C(C)=C/C
InChIInChI=1S/C10H17N/c1-5-9(4)11-8-10(6-2)7-3/h5-7,11H,2,8H2,1,3-4H3/b9-5+,10-7+
InChIKeyHLPATDDPADXHCH-FWMCCXIMSA-N
MW151.25 g/mol
LogP2.63
Rot. Bonds4

About (E)-N-[(E)-but-2-en-2-yl]-2-ethenylbut-2-en-1-amine

(E)-N-[(E)-but-2-en-2-yl]-2-ethenylbut-2-en-1-amine (PubChem CID 126544641) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is (E)-N-[(E)-but-2-en-2-yl]-2-ethenylbut-2-en-1-amine.

Molecular Properties

Compound Name(E)-N-[(E)-but-2-en-2-yl]-2-ethenylbut-2-en-1-amine
PubChem CID126544641
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name(E)-N-[(E)-but-2-en-2-yl]-2-ethenylbut-2-en-1-amine
SMILESC=C/C(=C\C)CN/C(C)=C/C
InChIInChI=1S/C10H17N/c1-5-9(4)11-8-10(6-2)7-3/h5-7,11H,2,8H2,1,3-4H3/b9-5+,10-7+
InChIKeyHLPATDDPADXHCH-FWMCCXIMSA-N
XLogP2.63
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N-[(E)-but-2-en-2-yl]-2-ethenylbut-2-en-1-amine?
The IUPAC name of (E)-N-[(E)-but-2-en-2-yl]-2-ethenylbut-2-en-1-amine (CID 126544641) is (E)-N-[(E)-but-2-en-2-yl]-2-ethenylbut-2-en-1-amine.
What is the SMILES notation for (E)-N-[(E)-but-2-en-2-yl]-2-ethenylbut-2-en-1-amine?
The canonical SMILES for (E)-N-[(E)-but-2-en-2-yl]-2-ethenylbut-2-en-1-amine is C=C/C(=C\C)CN/C(C)=C/C.
What is the InChIKey of (E)-N-[(E)-but-2-en-2-yl]-2-ethenylbut-2-en-1-amine?
The InChIKey is HLPATDDPADXHCH-FWMCCXIMSA-N. The full InChI is InChI=1S/C10H17N/c1-5-9(4)11-8-10(6-2)7-3/h5-7,11H,2,8H2,1,3-4H3/b9-5+,10-7+.
What are the key properties of (E)-N-[(E)-but-2-en-2-yl]-2-ethenylbut-2-en-1-amine?
(E)-N-[(E)-but-2-en-2-yl]-2-ethenylbut-2-en-1-amine has a molecular weight of 151.25 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(E)-but-2-en-2-yl]-2-ethenylbut-2-en-1-amine is sourced from PubChem (CID 126544641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).