(E)-1-[(Z)-[(E)-2-(2-methoxyethoxy)but-2-enylidene]amino]prop-1-en-1-amine

C10H18N2O2 — CID 143712172

IUPAC(E)-1-[(Z)-[(E)-2-(2-methoxyethoxy)but-2-enylidene]amino]prop-1-en-1-amine
SMILESC/C=C(N)/N=C\C(=C/C)OCCOC
InChIInChI=1S/C10H18N2O2/c1-4-9(14-7-6-13-3)8-12-10(11)5-2/h4-5,8H,6-7,11H2,1-3H3/b9-4+,10-5+,12-8-
InChIKeyOQGARJAULFWMDW-KMVXOADZSA-N
MW198.27 g/mol
LogP1.44
Rot. Bonds6

About (E)-1-[(Z)-[(E)-2-(2-methoxyethoxy)but-2-enylidene]amino]prop-1-en-1-amine

(E)-1-[(Z)-[(E)-2-(2-methoxyethoxy)but-2-enylidene]amino]prop-1-en-1-amine (PubChem CID 143712172) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is (E)-1-[(Z)-[(E)-2-(2-methoxyethoxy)but-2-enylidene]amino]prop-1-en-1-amine.

Molecular Properties

Compound Name(E)-1-[(Z)-[(E)-2-(2-methoxyethoxy)but-2-enylidene]amino]prop-1-en-1-amine
PubChem CID143712172
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name(E)-1-[(Z)-[(E)-2-(2-methoxyethoxy)but-2-enylidene]amino]prop-1-en-1-amine
SMILESC/C=C(N)/N=C\C(=C/C)OCCOC
InChIInChI=1S/C10H18N2O2/c1-4-9(14-7-6-13-3)8-12-10(11)5-2/h4-5,8H,6-7,11H2,1-3H3/b9-4+,10-5+,12-8-
InChIKeyOQGARJAULFWMDW-KMVXOADZSA-N
XLogP1.44
TPSA56.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-(dimethylamino)-2-(2-methoxyethoxy)prop-2-enal
CID 86171978
1,2-dimethoxyethane;tris(prop-1-ene)
CID 159658676
1,2-dimethoxyethane;ethane
CID 91349162
1,2-dimethoxyethane;samarium
CID 174304250
2-methoxyethyl 2-ethylidenepent-3-enoate
CID 123997768
2-(2-methoxyethoxy)ethyl (Z)-but-2-enoate
CID 5385708
2-methoxyethyl butanoate;tris(prop-1-ene)
CID 173481556
4-methoxybutanamide
CID 22414177
1,1,2-trifluoro-2-(2-methoxyethoxy)ethene
CID 58151494
lithium 2-methoxyethyl carbonate
CID 139846001
methane;(E)-4-(2-methoxyethoxy)-4-oxobut-2-enoic acid
CID 157127007
N'-[(E)-ethylideneamino]-2-methoxyethanimidamide
CID 172984944

Frequently Asked Questions

What is the IUPAC name of (E)-1-[(Z)-[(E)-2-(2-methoxyethoxy)but-2-enylidene]amino]prop-1-en-1-amine?
The IUPAC name of (E)-1-[(Z)-[(E)-2-(2-methoxyethoxy)but-2-enylidene]amino]prop-1-en-1-amine (CID 143712172) is (E)-1-[(Z)-[(E)-2-(2-methoxyethoxy)but-2-enylidene]amino]prop-1-en-1-amine.
What is the SMILES notation for (E)-1-[(Z)-[(E)-2-(2-methoxyethoxy)but-2-enylidene]amino]prop-1-en-1-amine?
The canonical SMILES for (E)-1-[(Z)-[(E)-2-(2-methoxyethoxy)but-2-enylidene]amino]prop-1-en-1-amine is C/C=C(N)/N=C\C(=C/C)OCCOC.
What is the InChIKey of (E)-1-[(Z)-[(E)-2-(2-methoxyethoxy)but-2-enylidene]amino]prop-1-en-1-amine?
The InChIKey is OQGARJAULFWMDW-KMVXOADZSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-4-9(14-7-6-13-3)8-12-10(11)5-2/h4-5,8H,6-7,11H2,1-3H3/b9-4+,10-5+,12-8-.
What are the key properties of (E)-1-[(Z)-[(E)-2-(2-methoxyethoxy)but-2-enylidene]amino]prop-1-en-1-amine?
(E)-1-[(Z)-[(E)-2-(2-methoxyethoxy)but-2-enylidene]amino]prop-1-en-1-amine has a molecular weight of 198.27 g/mol, XLogP of 1.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[(Z)-[(E)-2-(2-methoxyethoxy)but-2-enylidene]amino]prop-1-en-1-amine is sourced from PubChem (CID 143712172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).