ethane;(2E,4E)-N-ethyl-N-(2-methoxyethyl)-3-propan-2-ylhepta-2,4-dien-4-amine;(Z)-pent-2-ene

C22H45NO — CID 143340483

IUPACethane;(2E,4E)-N-ethyl-N-(2-methoxyethyl)-3-propan-2-ylhepta-2,4-dien-4-amine;(Z)-pent-2-ene
SMILESC/C=C(C(=C\CC)/N(CC)CCOC)\C(C)C.C/C=C\CC.CC
InChIInChI=1S/C15H29NO.C5H10.C2H6/c1-7-10-15(14(8-2)13(4)5)16(9-3)11-12-17-6;1-3-5-4-2;1-2/h8,10,13H,7,9,11-12H2,1-6H3;3,5H,4H2,1-2H3;1-2H3/b14-8+,15-10+;5-3-;
InChIKeyHHMMCZFBMAJRGB-MRBSQFABSA-N
MW339.61 g/mol
LogP6.85
Rot. Bonds9

About ethane;(2E,4E)-N-ethyl-N-(2-methoxyethyl)-3-propan-2-ylhepta-2,4-dien-4-amine;(Z)-pent-2-ene

ethane;(2E,4E)-N-ethyl-N-(2-methoxyethyl)-3-propan-2-ylhepta-2,4-dien-4-amine;(Z)-pent-2-ene (PubChem CID 143340483) has the molecular formula C22H45NO and a molecular weight of 339.61 g/mol. Its IUPAC name is ethane;(2E,4E)-N-ethyl-N-(2-methoxyethyl)-3-propan-2-ylhepta-2,4-dien-4-amine;(Z)-pent-2-ene.

Molecular Properties

Compound Nameethane;(2E,4E)-N-ethyl-N-(2-methoxyethyl)-3-propan-2-ylhepta-2,4-dien-4-amine;(Z)-pent-2-ene
PubChem CID143340483
Molecular FormulaC22H45NO
Molecular Weight339.61 g/mol
Exact Mass339.35
IUPAC Nameethane;(2E,4E)-N-ethyl-N-(2-methoxyethyl)-3-propan-2-ylhepta-2,4-dien-4-amine;(Z)-pent-2-ene
SMILESC/C=C(C(=C\CC)/N(CC)CCOC)\C(C)C.C/C=C\CC.CC
InChIInChI=1S/C15H29NO.C5H10.C2H6/c1-7-10-15(14(8-2)13(4)5)16(9-3)11-12-17-6;1-3-5-4-2;1-2/h8,10,13H,7,9,11-12H2,1-6H3;3,5H,4H2,1-2H3;1-2H3/b14-8+,15-10+;5-3-;
InChIKeyHHMMCZFBMAJRGB-MRBSQFABSA-N
XLogP6.85
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.61
LogP ≤ 56.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;(2E,4E)-N-ethyl-N-(2-methoxyethyl)-3-propan-2-ylhepta-2,4-dien-4-amine;(Z)-pent-2-ene?
The IUPAC name of ethane;(2E,4E)-N-ethyl-N-(2-methoxyethyl)-3-propan-2-ylhepta-2,4-dien-4-amine;(Z)-pent-2-ene (CID 143340483) is ethane;(2E,4E)-N-ethyl-N-(2-methoxyethyl)-3-propan-2-ylhepta-2,4-dien-4-amine;(Z)-pent-2-ene.
What is the SMILES notation for ethane;(2E,4E)-N-ethyl-N-(2-methoxyethyl)-3-propan-2-ylhepta-2,4-dien-4-amine;(Z)-pent-2-ene?
The canonical SMILES for ethane;(2E,4E)-N-ethyl-N-(2-methoxyethyl)-3-propan-2-ylhepta-2,4-dien-4-amine;(Z)-pent-2-ene is C/C=C(C(=C\CC)/N(CC)CCOC)\C(C)C.C/C=C\CC.CC.
What is the InChIKey of ethane;(2E,4E)-N-ethyl-N-(2-methoxyethyl)-3-propan-2-ylhepta-2,4-dien-4-amine;(Z)-pent-2-ene?
The InChIKey is HHMMCZFBMAJRGB-MRBSQFABSA-N. The full InChI is InChI=1S/C15H29NO.C5H10.C2H6/c1-7-10-15(14(8-2)13(4)5)16(9-3)11-12-17-6;1-3-5-4-2;1-2/h8,10,13H,7,9,11-12H2,1-6H3;3,5H,4H2,1-2H3;1-2H3/b14-8+,15-10+;5-3-;.
What are the key properties of ethane;(2E,4E)-N-ethyl-N-(2-methoxyethyl)-3-propan-2-ylhepta-2,4-dien-4-amine;(Z)-pent-2-ene?
ethane;(2E,4E)-N-ethyl-N-(2-methoxyethyl)-3-propan-2-ylhepta-2,4-dien-4-amine;(Z)-pent-2-ene has a molecular weight of 339.61 g/mol, XLogP of 6.85, 9 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-(2-methoxyethyl)-3-propan-2-ylhepta-2,4-dien-4-amine;(Z)-pent-2-ene is sourced from PubChem (CID 143340483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).