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

C13H29N2OW- — CID 154676670

IUPACethane;1-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.CC.[H][H].[W]
InChIInChI=1S/C11H21N2O.C2H6.W.H2/c1-5-14-9-7-11(3)13-8-6-10(2)12-4;1-2;;/h12-13H,1-3,5-9H2,4H3;1-2H3;;1H/q-1;;;
InChIKeyFAWRIBYZGNVXMP-UHFFFAOYSA-N
MW413.23 g/mol
LogP2.72
Rot. Bonds9

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

ethane;1-N-(4-ethoxybut-1-en-2-yl)-3-N-methylbut-3-ene-1,3-diamine;molecular hydrogen;tungsten (PubChem CID 154676670) has the molecular formula C13H29N2OW- and a molecular weight of 413.23 g/mol. Its IUPAC name is ethane;1-N-(4-ethoxybut-1-en-2-yl)-3-N-methylbut-3-ene-1,3-diamine;molecular hydrogen;tungsten.

Molecular Properties

Compound Nameethane;1-N-(4-ethoxybut-1-en-2-yl)-3-N-methylbut-3-ene-1,3-diamine;molecular hydrogen;tungsten
PubChem CID154676670
Molecular FormulaC13H29N2OW-
Molecular Weight413.23 g/mol
Exact Mass413.18
IUPAC Nameethane;1-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.CC.[H][H].[W]
InChIInChI=1S/C11H21N2O.C2H6.W.H2/c1-5-14-9-7-11(3)13-8-6-10(2)12-4;1-2;;/h12-13H,1-3,5-9H2,4H3;1-2H3;;1H/q-1;;;
InChIKeyFAWRIBYZGNVXMP-UHFFFAOYSA-N
XLogP2.72
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.23
LogP ≤ 52.72
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'}

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

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Related Compounds

4-ethoxy-N-(3-fluorobut-3-enyl)but-1-en-2-amine
CID 154676682
2-N,4-N-bis(3-ethenoxypropyl)penta-1,4-diene-2,4-diamine
CID 89325509
N-(3-methoxypropyl)but-1-en-2-amine
CID 90245952
ethane;molecular hydrogen;4-pentoxy-N-propylbut-1-en-2-amine
CID 153330353
ethane;1-N-(4-ethoxybut-1-en-2-yl)but-3-ene-1,3-diamine;tungsten
CID 154676679
4-ethoxy-N-(3-fluorobut-3-enyl)but-1-en-2-amine;tungsten
CID 154676681
CID 154676694
CID 154676694
1-N-[4-(2-aminoethoxy)but-1-en-2-yl]-3-N-methylbut-3-ene-1,3-diamine
CID 154676710
CID 154676718
CID 154676718
3-N-methyl-1-N-(4-penta-3,4-dienoxybut-1-en-2-yl)but-3-ene-1,3-diamine
CID 155058408
1-N-(4-penta-3,4-dienoxybut-1-en-2-yl)but-3-ene-1,3-diamine
CID 155058563
N-[2-[2-(methylamino)ethoxy]ethyl]but-1-en-2-amine
CID 156530380

Frequently Asked Questions

What is the IUPAC name of ethane;1-N-(4-ethoxybut-1-en-2-yl)-3-N-methylbut-3-ene-1,3-diamine;molecular hydrogen;tungsten?
The IUPAC name of ethane;1-N-(4-ethoxybut-1-en-2-yl)-3-N-methylbut-3-ene-1,3-diamine;molecular hydrogen;tungsten (CID 154676670) is ethane;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 ethane;1-N-(4-ethoxybut-1-en-2-yl)-3-N-methylbut-3-ene-1,3-diamine;molecular hydrogen;tungsten?
The canonical SMILES for ethane;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.CC.[H][H].[W].
What is the InChIKey of ethane;1-N-(4-ethoxybut-1-en-2-yl)-3-N-methylbut-3-ene-1,3-diamine;molecular hydrogen;tungsten?
The InChIKey is FAWRIBYZGNVXMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N2O.C2H6.W.H2/c1-5-14-9-7-11(3)13-8-6-10(2)12-4;1-2;;/h12-13H,1-3,5-9H2,4H3;1-2H3;;1H/q-1;;;.
What are the key properties of ethane;1-N-(4-ethoxybut-1-en-2-yl)-3-N-methylbut-3-ene-1,3-diamine;molecular hydrogen;tungsten?
ethane;1-N-(4-ethoxybut-1-en-2-yl)-3-N-methylbut-3-ene-1,3-diamine;molecular hydrogen;tungsten has a molecular weight of 413.23 g/mol, XLogP of 2.72, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-N-(4-ethoxybut-1-en-2-yl)-3-N-methylbut-3-ene-1,3-diamine;molecular hydrogen;tungsten is sourced from PubChem (CID 154676670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).