(E)-N,N'-bis(oxolan-2-ylmethyl)but-2-ene-1,4-diamine

C14H26N2O2 — CID 90119764

IUPAC(E)-N,N'-bis(oxolan-2-ylmethyl)but-2-ene-1,4-diamine
SMILESC(=C/CNCC1CCCO1)\CNCC1CCCO1
InChIInChI=1S/C14H26N2O2/c1(7-15-11-13-5-3-9-17-13)2-8-16-12-14-6-4-10-18-14/h1-2,13-16H,3-12H2/b2-1+
InChIKeyKYZSFWJMRZIGTI-OWOJBTEDSA-N
MW254.37 g/mol
LogP1.08
Rot. Bonds8

About (E)-N,N'-bis(oxolan-2-ylmethyl)but-2-ene-1,4-diamine

(E)-N,N'-bis(oxolan-2-ylmethyl)but-2-ene-1,4-diamine (PubChem CID 90119764) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is (E)-N,N'-bis(oxolan-2-ylmethyl)but-2-ene-1,4-diamine.

Molecular Properties

Compound Name(E)-N,N'-bis(oxolan-2-ylmethyl)but-2-ene-1,4-diamine
PubChem CID90119764
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name(E)-N,N'-bis(oxolan-2-ylmethyl)but-2-ene-1,4-diamine
SMILESC(=C/CNCC1CCCO1)\CNCC1CCCO1
InChIInChI=1S/C14H26N2O2/c1(7-15-11-13-5-3-9-17-13)2-8-16-12-14-6-4-10-18-14/h1-2,13-16H,3-12H2/b2-1+
InChIKeyKYZSFWJMRZIGTI-OWOJBTEDSA-N
XLogP1.08
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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(oxolan-2-ylmethyl)but-2-ene-1,4-diamine?
The IUPAC name of (E)-N,N'-bis(oxolan-2-ylmethyl)but-2-ene-1,4-diamine (CID 90119764) is (E)-N,N'-bis(oxolan-2-ylmethyl)but-2-ene-1,4-diamine.
What is the SMILES notation for (E)-N,N'-bis(oxolan-2-ylmethyl)but-2-ene-1,4-diamine?
The canonical SMILES for (E)-N,N'-bis(oxolan-2-ylmethyl)but-2-ene-1,4-diamine is C(=C/CNCC1CCCO1)\CNCC1CCCO1.
What is the InChIKey of (E)-N,N'-bis(oxolan-2-ylmethyl)but-2-ene-1,4-diamine?
The InChIKey is KYZSFWJMRZIGTI-OWOJBTEDSA-N. The full InChI is InChI=1S/C14H26N2O2/c1(7-15-11-13-5-3-9-17-13)2-8-16-12-14-6-4-10-18-14/h1-2,13-16H,3-12H2/b2-1+.
What are the key properties of (E)-N,N'-bis(oxolan-2-ylmethyl)but-2-ene-1,4-diamine?
(E)-N,N'-bis(oxolan-2-ylmethyl)but-2-ene-1,4-diamine has a molecular weight of 254.37 g/mol, XLogP of 1.08, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N'-bis(oxolan-2-ylmethyl)but-2-ene-1,4-diamine is sourced from PubChem (CID 90119764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).