(E)-N,N'-bis(prop-2-enyl)but-2-ene-1,4-diamine

C10H18N2 — CID 90046157

IUPAC(E)-N,N'-bis(prop-2-enyl)but-2-ene-1,4-diamine
SMILESC=CCNC/C=C/CNCC=C
InChIInChI=1S/C10H18N2/c1-3-7-11-9-5-6-10-12-8-4-2/h3-6,11-12H,1-2,7-10H2/b6-5+
InChIKeyRBLOGGDPTMJQLF-AATRIKPKSA-N
MW166.27 g/mol
LogP1.09
Rot. Bonds8

About (E)-N,N'-bis(prop-2-enyl)but-2-ene-1,4-diamine

(E)-N,N'-bis(prop-2-enyl)but-2-ene-1,4-diamine (PubChem CID 90046157) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is (E)-N,N'-bis(prop-2-enyl)but-2-ene-1,4-diamine.

Molecular Properties

Compound Name(E)-N,N'-bis(prop-2-enyl)but-2-ene-1,4-diamine
PubChem CID90046157
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name(E)-N,N'-bis(prop-2-enyl)but-2-ene-1,4-diamine
SMILESC=CCNC/C=C/CNCC=C
InChIInChI=1S/C10H18N2/c1-3-7-11-9-5-6-10-12-8-4-2/h3-6,11-12H,1-2,7-10H2/b6-5+
InChIKeyRBLOGGDPTMJQLF-AATRIKPKSA-N
XLogP1.09
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N,N'-bis(prop-2-enyl)but-2-ene-1,4-diamine?
The IUPAC name of (E)-N,N'-bis(prop-2-enyl)but-2-ene-1,4-diamine (CID 90046157) is (E)-N,N'-bis(prop-2-enyl)but-2-ene-1,4-diamine.
What is the SMILES notation for (E)-N,N'-bis(prop-2-enyl)but-2-ene-1,4-diamine?
The canonical SMILES for (E)-N,N'-bis(prop-2-enyl)but-2-ene-1,4-diamine is C=CCNC/C=C/CNCC=C.
What is the InChIKey of (E)-N,N'-bis(prop-2-enyl)but-2-ene-1,4-diamine?
The InChIKey is RBLOGGDPTMJQLF-AATRIKPKSA-N. The full InChI is InChI=1S/C10H18N2/c1-3-7-11-9-5-6-10-12-8-4-2/h3-6,11-12H,1-2,7-10H2/b6-5+.
What are the key properties of (E)-N,N'-bis(prop-2-enyl)but-2-ene-1,4-diamine?
(E)-N,N'-bis(prop-2-enyl)but-2-ene-1,4-diamine has a molecular weight of 166.27 g/mol, XLogP of 1.09, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N'-bis(prop-2-enyl)but-2-ene-1,4-diamine is sourced from PubChem (CID 90046157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).