1-N-(4-ethoxybut-1-en-2-yl)-3-N-methylbut-3-ene-1,3-diamine;molecular hydrogen;tungsten

C11H23N2OW- — CID 156649569

IUPAC1-N-(4-ethoxybut-1-en-2-yl)-3-N-methylbut-3-ene-1,3-diamine;molecular hydrogen;tungsten
SMILESC=C(CCNC(=C)CCOC[CH2-])NC.[H][H].[W]
InChIInChI=1S/C11H21N2O.W.H2/c1-5-14-9-7-11(3)13-8-6-10(2)12-4;;/h12-13H,1-3,5-9H2,4H3;;1H/q-1;;
InChIKeyMKHVSCTTZMBGSH-UHFFFAOYSA-N
MW383.16 g/mol
LogP1.70
Rot. Bonds9

About 1-N-(4-ethoxybut-1-en-2-yl)-3-N-methylbut-3-ene-1,3-diamine;molecular hydrogen;tungsten

1-N-(4-ethoxybut-1-en-2-yl)-3-N-methylbut-3-ene-1,3-diamine;molecular hydrogen;tungsten (PubChem CID 156649569) has the molecular formula C11H23N2OW- and a molecular weight of 383.16 g/mol. Its IUPAC name is 1-N-(4-ethoxybut-1-en-2-yl)-3-N-methylbut-3-ene-1,3-diamine;molecular hydrogen;tungsten.

Molecular Properties

Compound Name1-N-(4-ethoxybut-1-en-2-yl)-3-N-methylbut-3-ene-1,3-diamine;molecular hydrogen;tungsten
PubChem CID156649569
Molecular FormulaC11H23N2OW-
Molecular Weight383.16 g/mol
Exact Mass383.13
IUPAC Name1-N-(4-ethoxybut-1-en-2-yl)-3-N-methylbut-3-ene-1,3-diamine;molecular hydrogen;tungsten
SMILESC=C(CCNC(=C)CCOC[CH2-])NC.[H][H].[W]
InChIInChI=1S/C11H21N2O.W.H2/c1-5-14-9-7-11(3)13-8-6-10(2)12-4;;/h12-13H,1-3,5-9H2,4H3;;1H/q-1;;
InChIKeyMKHVSCTTZMBGSH-UHFFFAOYSA-N
XLogP1.70
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.16
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-N-(4-ethoxybut-1-en-2-yl)-3-N-methylbut-3-ene-1,3-diamine;molecular hydrogen;tungsten?
The IUPAC name of 1-N-(4-ethoxybut-1-en-2-yl)-3-N-methylbut-3-ene-1,3-diamine;molecular hydrogen;tungsten (CID 156649569) is 1-N-(4-ethoxybut-1-en-2-yl)-3-N-methylbut-3-ene-1,3-diamine;molecular hydrogen;tungsten.
What is the SMILES notation for 1-N-(4-ethoxybut-1-en-2-yl)-3-N-methylbut-3-ene-1,3-diamine;molecular hydrogen;tungsten?
The canonical SMILES for 1-N-(4-ethoxybut-1-en-2-yl)-3-N-methylbut-3-ene-1,3-diamine;molecular hydrogen;tungsten is C=C(CCNC(=C)CCOC[CH2-])NC.[H][H].[W].
What is the InChIKey of 1-N-(4-ethoxybut-1-en-2-yl)-3-N-methylbut-3-ene-1,3-diamine;molecular hydrogen;tungsten?
The InChIKey is MKHVSCTTZMBGSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N2O.W.H2/c1-5-14-9-7-11(3)13-8-6-10(2)12-4;;/h12-13H,1-3,5-9H2,4H3;;1H/q-1;;.
What are the key properties of 1-N-(4-ethoxybut-1-en-2-yl)-3-N-methylbut-3-ene-1,3-diamine;molecular hydrogen;tungsten?
1-N-(4-ethoxybut-1-en-2-yl)-3-N-methylbut-3-ene-1,3-diamine;molecular hydrogen;tungsten has a molecular weight of 383.16 g/mol, XLogP of 1.70, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(4-ethoxybut-1-en-2-yl)-3-N-methylbut-3-ene-1,3-diamine;molecular hydrogen;tungsten is sourced from PubChem (CID 156649569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).