N'-[(3-methyloxolan-2-yl)methyl]-N-(oxolan-2-ylmethyl)but-2-ene-1,4-diamine

C15H28N2O2 — CID 123950026

IUPACN'-[(3-methyloxolan-2-yl)methyl]-N-(oxolan-2-ylmethyl)but-2-ene-1,4-diamine
SMILESCC1CCOC1CNCC=CCNCC1CCCO1
InChIInChI=1S/C15H28N2O2/c1-13-6-10-19-15(13)12-17-8-3-2-7-16-11-14-5-4-9-18-14/h2-3,13-17H,4-12H2,1H3
InChIKeyWDYHYRNCHFMEQB-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.33
Rot. Bonds8

About N'-[(3-methyloxolan-2-yl)methyl]-N-(oxolan-2-ylmethyl)but-2-ene-1,4-diamine

N'-[(3-methyloxolan-2-yl)methyl]-N-(oxolan-2-ylmethyl)but-2-ene-1,4-diamine (PubChem CID 123950026) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is N'-[(3-methyloxolan-2-yl)methyl]-N-(oxolan-2-ylmethyl)but-2-ene-1,4-diamine.

Molecular Properties

Compound NameN'-[(3-methyloxolan-2-yl)methyl]-N-(oxolan-2-ylmethyl)but-2-ene-1,4-diamine
PubChem CID123950026
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC NameN'-[(3-methyloxolan-2-yl)methyl]-N-(oxolan-2-ylmethyl)but-2-ene-1,4-diamine
SMILESCC1CCOC1CNCC=CCNCC1CCCO1
InChIInChI=1S/C15H28N2O2/c1-13-6-10-19-15(13)12-17-8-3-2-7-16-11-14-5-4-9-18-14/h2-3,13-17H,4-12H2,1H3
InChIKeyWDYHYRNCHFMEQB-UHFFFAOYSA-N
XLogP1.33
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.33
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 N'-[(3-methyloxolan-2-yl)methyl]-N-(oxolan-2-ylmethyl)but-2-ene-1,4-diamine?
The IUPAC name of N'-[(3-methyloxolan-2-yl)methyl]-N-(oxolan-2-ylmethyl)but-2-ene-1,4-diamine (CID 123950026) is N'-[(3-methyloxolan-2-yl)methyl]-N-(oxolan-2-ylmethyl)but-2-ene-1,4-diamine.
What is the SMILES notation for N'-[(3-methyloxolan-2-yl)methyl]-N-(oxolan-2-ylmethyl)but-2-ene-1,4-diamine?
The canonical SMILES for N'-[(3-methyloxolan-2-yl)methyl]-N-(oxolan-2-ylmethyl)but-2-ene-1,4-diamine is CC1CCOC1CNCC=CCNCC1CCCO1.
What is the InChIKey of N'-[(3-methyloxolan-2-yl)methyl]-N-(oxolan-2-ylmethyl)but-2-ene-1,4-diamine?
The InChIKey is WDYHYRNCHFMEQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-13-6-10-19-15(13)12-17-8-3-2-7-16-11-14-5-4-9-18-14/h2-3,13-17H,4-12H2,1H3.
What are the key properties of N'-[(3-methyloxolan-2-yl)methyl]-N-(oxolan-2-ylmethyl)but-2-ene-1,4-diamine?
N'-[(3-methyloxolan-2-yl)methyl]-N-(oxolan-2-ylmethyl)but-2-ene-1,4-diamine has a molecular weight of 268.40 g/mol, XLogP of 1.33, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3-methyloxolan-2-yl)methyl]-N-(oxolan-2-ylmethyl)but-2-ene-1,4-diamine is sourced from PubChem (CID 123950026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).