ethane;(2E,4E)-N-ethyl-N-methyl-2-[(E)-prop-1-enyl]hexa-2,4-dien-1-amine;methoxyethane

C17H35NO — CID 143996936

IUPACethane;(2E,4E)-N-ethyl-N-methyl-2-[(E)-prop-1-enyl]hexa-2,4-dien-1-amine;methoxyethane
SMILESC/C=C/C=C(\C=C\C)CN(C)CC.CC.CCOC
InChIInChI=1S/C12H21N.C3H8O.C2H6/c1-5-8-10-12(9-6-2)11-13(4)7-3;1-3-4-2;1-2/h5-6,8-10H,7,11H2,1-4H3;3H2,1-2H3;1-2H3/b8-5+,9-6+,12-10+;;
InChIKeyJLJAKCAMCRKCIF-MRPGNYFJSA-N
MW269.47 g/mol
LogP4.70
Rot. Bonds6

About ethane;(2E,4E)-N-ethyl-N-methyl-2-[(E)-prop-1-enyl]hexa-2,4-dien-1-amine;methoxyethane

ethane;(2E,4E)-N-ethyl-N-methyl-2-[(E)-prop-1-enyl]hexa-2,4-dien-1-amine;methoxyethane (PubChem CID 143996936) has the molecular formula C17H35NO and a molecular weight of 269.47 g/mol. Its IUPAC name is ethane;(2E,4E)-N-ethyl-N-methyl-2-[(E)-prop-1-enyl]hexa-2,4-dien-1-amine;methoxyethane.

Molecular Properties

Compound Nameethane;(2E,4E)-N-ethyl-N-methyl-2-[(E)-prop-1-enyl]hexa-2,4-dien-1-amine;methoxyethane
PubChem CID143996936
Molecular FormulaC17H35NO
Molecular Weight269.47 g/mol
Exact Mass269.27
IUPAC Nameethane;(2E,4E)-N-ethyl-N-methyl-2-[(E)-prop-1-enyl]hexa-2,4-dien-1-amine;methoxyethane
SMILESC/C=C/C=C(\C=C\C)CN(C)CC.CC.CCOC
InChIInChI=1S/C12H21N.C3H8O.C2H6/c1-5-8-10-12(9-6-2)11-13(4)7-3;1-3-4-2;1-2/h5-6,8-10H,7,11H2,1-4H3;3H2,1-2H3;1-2H3/b8-5+,9-6+,12-10+;;
InChIKeyJLJAKCAMCRKCIF-MRPGNYFJSA-N
XLogP4.70
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.47
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze ethane;(2E,4E)-N-ethyl-N-methyl-2-[(E)-prop-1-enyl]hexa-2,4-dien-1-amine;methoxyethane with MolForge

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Related Compounds

N-ethyl-N-(methoxymethyl)-2-methylidenepent-3-en-1-amine
CID 90742949
(Z)-N-ethyl-2-methylidene-N-(oxetan-3-ylmethyl)pent-3-en-1-amine
CID 121388611
N-ethyl-N-(2-methoxyethyl)-2,2,6-trimethylhepta-3,5-dien-1-amine
CID 123666535
N-(2-ethoxyethyl)-2-ethylidene-N-methylpent-3-en-1-amine
CID 123938505
(2E,3Z)-N-ethyl-2-ethylidene-N-(2-methoxyethyl)hexa-3,5-dien-1-amine
CID 138546688
triethyl-[(2E,4Z)-6-(methoxymethyl)-2-methylhepta-2,4,6-trienyl]azanium
CID 142241501
(Z,2E)-N-butyl-2-ethylidene-N-[(E)-prop-1-enyl]hex-3-en-1-amine;3-methoxyprop-1-ene
CID 142550153
N'-[(Z,2E)-2-ethylidenehex-3-enyl]-N-(3-methoxypropyl)-N,N'-dimethylethane-1,2-diamine
CID 143123502
ethane;(E)-2-ethenyl-N-ethyl-N-(2-methoxyethyl)but-2-en-1-amine
CID 143677797
ethane;(2E)-2-ethenyl-N-(2-methoxyethyl)-N,4-dimethylpenta-2,4-dien-1-amine
CID 143884463
ethane;(2E)-N-ethyl-N,3-dimethyl-2-[(Z)-prop-1-enyl]penta-2,4-dien-1-amine
CID 144012726
(3E,5Z)-4-bromo-N-ethyl-N-(2-methoxyethyl)-2-methylidenehepta-3,5-dien-1-amine;ethane
CID 144229912

Frequently Asked Questions

What is the IUPAC name of ethane;(2E,4E)-N-ethyl-N-methyl-2-[(E)-prop-1-enyl]hexa-2,4-dien-1-amine;methoxyethane?
The IUPAC name of ethane;(2E,4E)-N-ethyl-N-methyl-2-[(E)-prop-1-enyl]hexa-2,4-dien-1-amine;methoxyethane (CID 143996936) is ethane;(2E,4E)-N-ethyl-N-methyl-2-[(E)-prop-1-enyl]hexa-2,4-dien-1-amine;methoxyethane.
What is the SMILES notation for ethane;(2E,4E)-N-ethyl-N-methyl-2-[(E)-prop-1-enyl]hexa-2,4-dien-1-amine;methoxyethane?
The canonical SMILES for ethane;(2E,4E)-N-ethyl-N-methyl-2-[(E)-prop-1-enyl]hexa-2,4-dien-1-amine;methoxyethane is C/C=C/C=C(\C=C\C)CN(C)CC.CC.CCOC.
What is the InChIKey of ethane;(2E,4E)-N-ethyl-N-methyl-2-[(E)-prop-1-enyl]hexa-2,4-dien-1-amine;methoxyethane?
The InChIKey is JLJAKCAMCRKCIF-MRPGNYFJSA-N. The full InChI is InChI=1S/C12H21N.C3H8O.C2H6/c1-5-8-10-12(9-6-2)11-13(4)7-3;1-3-4-2;1-2/h5-6,8-10H,7,11H2,1-4H3;3H2,1-2H3;1-2H3/b8-5+,9-6+,12-10+;;.
What are the key properties of ethane;(2E,4E)-N-ethyl-N-methyl-2-[(E)-prop-1-enyl]hexa-2,4-dien-1-amine;methoxyethane?
ethane;(2E,4E)-N-ethyl-N-methyl-2-[(E)-prop-1-enyl]hexa-2,4-dien-1-amine;methoxyethane has a molecular weight of 269.47 g/mol, XLogP of 4.70, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2E,4E)-N-ethyl-N-methyl-2-[(E)-prop-1-enyl]hexa-2,4-dien-1-amine;methoxyethane is sourced from PubChem (CID 143996936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).