(2Z,4E)-N-ethyl-1-methoxy-N-[(4-methoxycyclohexa-1,5-dien-1-yl)methyl]hepta-2,4-dien-4-amine

C18H29NO2 — CID 138519123

IUPAC(2Z,4E)-N-ethyl-1-methoxy-N-[(4-methoxycyclohexa-1,5-dien-1-yl)methyl]hepta-2,4-dien-4-amine
SMILESCC/C=C(\C=C/COC)N(CC)CC1=CCC(OC)C=C1
InChIInChI=1S/C18H29NO2/c1-5-8-17(9-7-14-20-3)19(6-2)15-16-10-12-18(21-4)13-11-16/h7-12,18H,5-6,13-15H2,1-4H3/b9-7-,17-8+
InChIKeyFROJKCKFGWJQSE-VFKQQYSQSA-N
MW291.44 g/mol
LogP3.71
Rot. Bonds9

About (2Z,4E)-N-ethyl-1-methoxy-N-[(4-methoxycyclohexa-1,5-dien-1-yl)methyl]hepta-2,4-dien-4-amine

(2Z,4E)-N-ethyl-1-methoxy-N-[(4-methoxycyclohexa-1,5-dien-1-yl)methyl]hepta-2,4-dien-4-amine (PubChem CID 138519123) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is (2Z,4E)-N-ethyl-1-methoxy-N-[(4-methoxycyclohexa-1,5-dien-1-yl)methyl]hepta-2,4-dien-4-amine.

Molecular Properties

Compound Name(2Z,4E)-N-ethyl-1-methoxy-N-[(4-methoxycyclohexa-1,5-dien-1-yl)methyl]hepta-2,4-dien-4-amine
PubChem CID138519123
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name(2Z,4E)-N-ethyl-1-methoxy-N-[(4-methoxycyclohexa-1,5-dien-1-yl)methyl]hepta-2,4-dien-4-amine
SMILESCC/C=C(\C=C/COC)N(CC)CC1=CCC(OC)C=C1
InChIInChI=1S/C18H29NO2/c1-5-8-17(9-7-14-20-3)19(6-2)15-16-10-12-18(21-4)13-11-16/h7-12,18H,5-6,13-15H2,1-4H3/b9-7-,17-8+
InChIKeyFROJKCKFGWJQSE-VFKQQYSQSA-N
XLogP3.71
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z,4E)-N-ethyl-1-methoxy-N-[(4-methoxycyclohexa-1,5-dien-1-yl)methyl]hepta-2,4-dien-4-amine?
The IUPAC name of (2Z,4E)-N-ethyl-1-methoxy-N-[(4-methoxycyclohexa-1,5-dien-1-yl)methyl]hepta-2,4-dien-4-amine (CID 138519123) is (2Z,4E)-N-ethyl-1-methoxy-N-[(4-methoxycyclohexa-1,5-dien-1-yl)methyl]hepta-2,4-dien-4-amine.
What is the SMILES notation for (2Z,4E)-N-ethyl-1-methoxy-N-[(4-methoxycyclohexa-1,5-dien-1-yl)methyl]hepta-2,4-dien-4-amine?
The canonical SMILES for (2Z,4E)-N-ethyl-1-methoxy-N-[(4-methoxycyclohexa-1,5-dien-1-yl)methyl]hepta-2,4-dien-4-amine is CC/C=C(\C=C/COC)N(CC)CC1=CCC(OC)C=C1.
What is the InChIKey of (2Z,4E)-N-ethyl-1-methoxy-N-[(4-methoxycyclohexa-1,5-dien-1-yl)methyl]hepta-2,4-dien-4-amine?
The InChIKey is FROJKCKFGWJQSE-VFKQQYSQSA-N. The full InChI is InChI=1S/C18H29NO2/c1-5-8-17(9-7-14-20-3)19(6-2)15-16-10-12-18(21-4)13-11-16/h7-12,18H,5-6,13-15H2,1-4H3/b9-7-,17-8+.
What are the key properties of (2Z,4E)-N-ethyl-1-methoxy-N-[(4-methoxycyclohexa-1,5-dien-1-yl)methyl]hepta-2,4-dien-4-amine?
(2Z,4E)-N-ethyl-1-methoxy-N-[(4-methoxycyclohexa-1,5-dien-1-yl)methyl]hepta-2,4-dien-4-amine has a molecular weight of 291.44 g/mol, XLogP of 3.71, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-N-ethyl-1-methoxy-N-[(4-methoxycyclohexa-1,5-dien-1-yl)methyl]hepta-2,4-dien-4-amine is sourced from PubChem (CID 138519123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).