ethane;(3E)-4-methoxypenta-1,3-dien-2-amine;molecular hydrogen

C8H19NO — CID 142580697

IUPACethane;(3E)-4-methoxypenta-1,3-dien-2-amine;molecular hydrogen
SMILESC=C(N)/C=C(\C)OC.CC.[H][H]
InChIInChI=1S/C6H11NO.C2H6.H2/c1-5(7)4-6(2)8-3;1-2;/h4H,1,7H2,2-3H3;1-2H3;1H/b6-4+;;
InChIKeyDLVISZISBFDCOD-SLNOCBGISA-N
MW145.25 g/mol
LogP2.28
Rot. Bonds2

About ethane;(3E)-4-methoxypenta-1,3-dien-2-amine;molecular hydrogen

ethane;(3E)-4-methoxypenta-1,3-dien-2-amine;molecular hydrogen (PubChem CID 142580697) has the molecular formula C8H19NO and a molecular weight of 145.25 g/mol. Its IUPAC name is ethane;(3E)-4-methoxypenta-1,3-dien-2-amine;molecular hydrogen.

Molecular Properties

Compound Nameethane;(3E)-4-methoxypenta-1,3-dien-2-amine;molecular hydrogen
PubChem CID142580697
Molecular FormulaC8H19NO
Molecular Weight145.25 g/mol
Exact Mass145.15
IUPAC Nameethane;(3E)-4-methoxypenta-1,3-dien-2-amine;molecular hydrogen
SMILESC=C(N)/C=C(\C)OC.CC.[H][H]
InChIInChI=1S/C6H11NO.C2H6.H2/c1-5(7)4-6(2)8-3;1-2;/h4H,1,7H2,2-3H3;1-2H3;1H/b6-4+;;
InChIKeyDLVISZISBFDCOD-SLNOCBGISA-N
XLogP2.28
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.25
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(2Z,4E)-3-fluoro-5-methoxyhexa-2,4-dien-2-amine
CID 156566216
(1E,3E,5Z)-1-methoxyhepta-1,3,5-trien-3-amine
CID 88590096
(3E,5E)-6-methoxyhepta-1,3,5-trien-3-amine
CID 88997185
(1E,3E)-1-methoxyhexa-1,3,5-triene-1,3,5-triamine
CID 89010016
(3E,5E)-5-methoxyhepta-1,3,5-trien-3-amine
CID 118085791
(2E,4E)-5-methoxyhexa-2,4-dien-2-amine
CID 130240317
(1E,3E,5E)-1,6-dimethoxyhepta-1,3,5-trien-3-amine
CID 138710975
(6E,8E,10E)-11-methyl-1,5-dioxacycloundeca-6,8,10-trien-8-amine
CID 138711486
(3E)-4-methoxyhexa-1,3-dien-2-amine
CID 139378141
(2Z,4Z)-2-methoxyhepta-2,4,6-trien-3-amine
CID 139425595
(2E,4E)-5-aminohexa-2,4-dien-2-ol;ethane
CID 141772054
(2E,4E)-5-aminohexa-2,4-dien-2-ol;ethane
CID 141789901

Frequently Asked Questions

What is the IUPAC name of ethane;(3E)-4-methoxypenta-1,3-dien-2-amine;molecular hydrogen?
The IUPAC name of ethane;(3E)-4-methoxypenta-1,3-dien-2-amine;molecular hydrogen (CID 142580697) is ethane;(3E)-4-methoxypenta-1,3-dien-2-amine;molecular hydrogen.
What is the SMILES notation for ethane;(3E)-4-methoxypenta-1,3-dien-2-amine;molecular hydrogen?
The canonical SMILES for ethane;(3E)-4-methoxypenta-1,3-dien-2-amine;molecular hydrogen is C=C(N)/C=C(\C)OC.CC.[H][H].
What is the InChIKey of ethane;(3E)-4-methoxypenta-1,3-dien-2-amine;molecular hydrogen?
The InChIKey is DLVISZISBFDCOD-SLNOCBGISA-N. The full InChI is InChI=1S/C6H11NO.C2H6.H2/c1-5(7)4-6(2)8-3;1-2;/h4H,1,7H2,2-3H3;1-2H3;1H/b6-4+;;.
What are the key properties of ethane;(3E)-4-methoxypenta-1,3-dien-2-amine;molecular hydrogen?
ethane;(3E)-4-methoxypenta-1,3-dien-2-amine;molecular hydrogen has a molecular weight of 145.25 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3E)-4-methoxypenta-1,3-dien-2-amine;molecular hydrogen is sourced from PubChem (CID 142580697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).