(Z)-2-(ethenyliminomethyl)-N-prop-2-enylbut-2-en-1-amine

C10H16N2 — CID 142416658

IUPAC(Z)-2-(ethenyliminomethyl)-N-prop-2-enylbut-2-en-1-amine
SMILESC=CCNCC(=C/C)/C=N/C=C
InChIInChI=1S/C10H16N2/c1-4-7-12-9-10(5-2)8-11-6-3/h4-6,8,12H,1,3,7,9H2,2H3/b10-5+,11-8+
InChIKeyLUNOUZBBXBQIMR-TVNUJMIRSA-N
MW164.25 g/mol
LogP1.92
Rot. Bonds6

About (Z)-2-(ethenyliminomethyl)-N-prop-2-enylbut-2-en-1-amine

(Z)-2-(ethenyliminomethyl)-N-prop-2-enylbut-2-en-1-amine (PubChem CID 142416658) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is (Z)-2-(ethenyliminomethyl)-N-prop-2-enylbut-2-en-1-amine.

Molecular Properties

Compound Name(Z)-2-(ethenyliminomethyl)-N-prop-2-enylbut-2-en-1-amine
PubChem CID142416658
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name(Z)-2-(ethenyliminomethyl)-N-prop-2-enylbut-2-en-1-amine
SMILESC=CCNCC(=C/C)/C=N/C=C
InChIInChI=1S/C10H16N2/c1-4-7-12-9-10(5-2)8-11-6-3/h4-6,8,12H,1,3,7,9H2,2H3/b10-5+,11-8+
InChIKeyLUNOUZBBXBQIMR-TVNUJMIRSA-N
XLogP1.92
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 (Z)-2-(ethenyliminomethyl)-N-prop-2-enylbut-2-en-1-amine?
The IUPAC name of (Z)-2-(ethenyliminomethyl)-N-prop-2-enylbut-2-en-1-amine (CID 142416658) is (Z)-2-(ethenyliminomethyl)-N-prop-2-enylbut-2-en-1-amine.
What is the SMILES notation for (Z)-2-(ethenyliminomethyl)-N-prop-2-enylbut-2-en-1-amine?
The canonical SMILES for (Z)-2-(ethenyliminomethyl)-N-prop-2-enylbut-2-en-1-amine is C=CCNCC(=C/C)/C=N/C=C.
What is the InChIKey of (Z)-2-(ethenyliminomethyl)-N-prop-2-enylbut-2-en-1-amine?
The InChIKey is LUNOUZBBXBQIMR-TVNUJMIRSA-N. The full InChI is InChI=1S/C10H16N2/c1-4-7-12-9-10(5-2)8-11-6-3/h4-6,8,12H,1,3,7,9H2,2H3/b10-5+,11-8+.
What are the key properties of (Z)-2-(ethenyliminomethyl)-N-prop-2-enylbut-2-en-1-amine?
(Z)-2-(ethenyliminomethyl)-N-prop-2-enylbut-2-en-1-amine has a molecular weight of 164.25 g/mol, XLogP of 1.92, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(ethenyliminomethyl)-N-prop-2-enylbut-2-en-1-amine is sourced from PubChem (CID 142416658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).