(Z)-5-[(Z)-but-2-enyl]imino-N-methylpent-3-en-2-amine

C10H18N2 — CID 129043125

IUPAC(Z)-5-[(Z)-but-2-enyl]imino-N-methylpent-3-en-2-amine
SMILESC/C=C\C/N=C/C=C\C(C)NC
InChIInChI=1S/C10H18N2/c1-4-5-8-12-9-6-7-10(2)11-3/h4-7,9-11H,8H2,1-3H3/b5-4-,7-6-,12-9+
InChIKeyLJOCMIFWKHVFNL-YAAIQDIVSA-N
MW166.27 g/mol
LogP1.80
Rot. Bonds5

About (Z)-5-[(Z)-but-2-enyl]imino-N-methylpent-3-en-2-amine

(Z)-5-[(Z)-but-2-enyl]imino-N-methylpent-3-en-2-amine (PubChem CID 129043125) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is (Z)-5-[(Z)-but-2-enyl]imino-N-methylpent-3-en-2-amine.

Molecular Properties

Compound Name(Z)-5-[(Z)-but-2-enyl]imino-N-methylpent-3-en-2-amine
PubChem CID129043125
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name(Z)-5-[(Z)-but-2-enyl]imino-N-methylpent-3-en-2-amine
SMILESC/C=C\C/N=C/C=C\C(C)NC
InChIInChI=1S/C10H18N2/c1-4-5-8-12-9-6-7-10(2)11-3/h4-7,9-11H,8H2,1-3H3/b5-4-,7-6-,12-9+
InChIKeyLJOCMIFWKHVFNL-YAAIQDIVSA-N
XLogP1.80
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 51.80
H-Bond Donors ≤ 51
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 (Z)-5-[(Z)-but-2-enyl]imino-N-methylpent-3-en-2-amine?
The IUPAC name of (Z)-5-[(Z)-but-2-enyl]imino-N-methylpent-3-en-2-amine (CID 129043125) is (Z)-5-[(Z)-but-2-enyl]imino-N-methylpent-3-en-2-amine.
What is the SMILES notation for (Z)-5-[(Z)-but-2-enyl]imino-N-methylpent-3-en-2-amine?
The canonical SMILES for (Z)-5-[(Z)-but-2-enyl]imino-N-methylpent-3-en-2-amine is C/C=C\C/N=C/C=C\C(C)NC.
What is the InChIKey of (Z)-5-[(Z)-but-2-enyl]imino-N-methylpent-3-en-2-amine?
The InChIKey is LJOCMIFWKHVFNL-YAAIQDIVSA-N. The full InChI is InChI=1S/C10H18N2/c1-4-5-8-12-9-6-7-10(2)11-3/h4-7,9-11H,8H2,1-3H3/b5-4-,7-6-,12-9+.
What are the key properties of (Z)-5-[(Z)-but-2-enyl]imino-N-methylpent-3-en-2-amine?
(Z)-5-[(Z)-but-2-enyl]imino-N-methylpent-3-en-2-amine has a molecular weight of 166.27 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-[(Z)-but-2-enyl]imino-N-methylpent-3-en-2-amine is sourced from PubChem (CID 129043125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).