(Z,2Z)-N-butyl-2-(1-methoxyethylidene)-N-[(2E,4Z)-6-methoxyhexa-2,4-dien-3-yl]pent-3-en-1-amine

C19H33NO2 — CID 142550031

IUPAC(Z,2Z)-N-butyl-2-(1-methoxyethylidene)-N-[(2E,4Z)-6-methoxyhexa-2,4-dien-3-yl]pent-3-en-1-amine
SMILESC/C=C\C(CN(CCCC)C(/C=C\COC)=C/C)=C(/C)OC
InChIInChI=1S/C19H33NO2/c1-7-10-14-20(19(9-3)13-11-15-21-5)16-18(12-8-2)17(4)22-6/h8-9,11-13H,7,10,14-16H2,1-6H3/b12-8-,13-11-,18-17-,19-9+
InChIKeySLYYPMJXPAVWSM-QRKINUDTSA-N
MW307.48 g/mol
LogP4.69
Rot. Bonds11

About (Z,2Z)-N-butyl-2-(1-methoxyethylidene)-N-[(2E,4Z)-6-methoxyhexa-2,4-dien-3-yl]pent-3-en-1-amine

(Z,2Z)-N-butyl-2-(1-methoxyethylidene)-N-[(2E,4Z)-6-methoxyhexa-2,4-dien-3-yl]pent-3-en-1-amine (PubChem CID 142550031) has the molecular formula C19H33NO2 and a molecular weight of 307.48 g/mol. Its IUPAC name is (Z,2Z)-N-butyl-2-(1-methoxyethylidene)-N-[(2E,4Z)-6-methoxyhexa-2,4-dien-3-yl]pent-3-en-1-amine.

Molecular Properties

Compound Name(Z,2Z)-N-butyl-2-(1-methoxyethylidene)-N-[(2E,4Z)-6-methoxyhexa-2,4-dien-3-yl]pent-3-en-1-amine
PubChem CID142550031
Molecular FormulaC19H33NO2
Molecular Weight307.48 g/mol
Exact Mass307.25
IUPAC Name(Z,2Z)-N-butyl-2-(1-methoxyethylidene)-N-[(2E,4Z)-6-methoxyhexa-2,4-dien-3-yl]pent-3-en-1-amine
SMILESC/C=C\C(CN(CCCC)C(/C=C\COC)=C/C)=C(/C)OC
InChIInChI=1S/C19H33NO2/c1-7-10-14-20(19(9-3)13-11-15-21-5)16-18(12-8-2)17(4)22-6/h8-9,11-13H,7,10,14-16H2,1-6H3/b12-8-,13-11-,18-17-,19-9+
InChIKeySLYYPMJXPAVWSM-QRKINUDTSA-N
XLogP4.69
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.48
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

(2E,4Z)-N-[(3Z,5Z)-7-(2-fluoroethoxy)hepta-3,5-dienyl]-4-methyl-N-prop-1-en-2-ylhepta-2,4,6-trien-3-amine
CID 143936414
15,17,21,23,29,35-Hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-1(35),2,5,7,9,13,15,17,19,21,23,25,27,29,31,33-hexadecaene
CID 91579694
(3E,4Z)-3-[[(2E,4E)-hexa-2,4-dienoxy]methylidene]-N-prop-2-enyl-N-propylhepta-4,6-dien-1-amine
CID 118059284
6-ethylidene-3-methoxy-N,N-dimethyl-5-methylidenecyclohexa-1,3-dien-1-amine
CID 123475527
4-methoxy-N,3-dimethyl-N-penta-1,3-dien-2-ylpent-3-en-1-amine
CID 123491650
N'-[(3E,5E)-4,6-dimethoxyocta-3,5,7-trien-2-yl]-N'-[(E)-pent-2-en-3-yl]butane-1,4-diamine
CID 132174901
(2Z,4E)-N-ethyl-1-methoxy-N-[(4-methoxycyclohexa-1,5-dien-1-yl)methyl]hepta-2,4-dien-4-amine
CID 138519123
(2E,4Z)-N-butan-2-yl-6-methoxy-N-[(5-methoxycyclohexa-1,5-dien-1-yl)methyl]hepta-2,4,6-trien-3-amine
CID 138519234
(2E)-2-(2-methoxy-3-methylbut-2-enylidene)-1-methyl-3-methylidenepyrrole
CID 142144047
ethane;(Z,2E)-2-ethylidene-5-methoxy-N-[(1E,3Z)-4-methylhexa-1,3,5-trienyl]-N-pentylhex-3-en-1-amine
CID 142550009
acetylene;(Z,2Z)-N-butyl-2-(1-methoxyethylidene)-N-[(2E,4Z)-6-methoxyhexa-2,4-dien-3-yl]pent-3-en-1-amine;ethane;propane
CID 142550030
(2E)-N-heptyl-N-[(2E,4Z)-6-methoxyhepta-2,4-dien-3-yl]-2-methylhepta-2,6-dien-1-amine
CID 142550059

Frequently Asked Questions

What is the IUPAC name of (Z,2Z)-N-butyl-2-(1-methoxyethylidene)-N-[(2E,4Z)-6-methoxyhexa-2,4-dien-3-yl]pent-3-en-1-amine?
The IUPAC name of (Z,2Z)-N-butyl-2-(1-methoxyethylidene)-N-[(2E,4Z)-6-methoxyhexa-2,4-dien-3-yl]pent-3-en-1-amine (CID 142550031) is (Z,2Z)-N-butyl-2-(1-methoxyethylidene)-N-[(2E,4Z)-6-methoxyhexa-2,4-dien-3-yl]pent-3-en-1-amine.
What is the SMILES notation for (Z,2Z)-N-butyl-2-(1-methoxyethylidene)-N-[(2E,4Z)-6-methoxyhexa-2,4-dien-3-yl]pent-3-en-1-amine?
The canonical SMILES for (Z,2Z)-N-butyl-2-(1-methoxyethylidene)-N-[(2E,4Z)-6-methoxyhexa-2,4-dien-3-yl]pent-3-en-1-amine is C/C=C\C(CN(CCCC)C(/C=C\COC)=C/C)=C(/C)OC.
What is the InChIKey of (Z,2Z)-N-butyl-2-(1-methoxyethylidene)-N-[(2E,4Z)-6-methoxyhexa-2,4-dien-3-yl]pent-3-en-1-amine?
The InChIKey is SLYYPMJXPAVWSM-QRKINUDTSA-N. The full InChI is InChI=1S/C19H33NO2/c1-7-10-14-20(19(9-3)13-11-15-21-5)16-18(12-8-2)17(4)22-6/h8-9,11-13H,7,10,14-16H2,1-6H3/b12-8-,13-11-,18-17-,19-9+.
What are the key properties of (Z,2Z)-N-butyl-2-(1-methoxyethylidene)-N-[(2E,4Z)-6-methoxyhexa-2,4-dien-3-yl]pent-3-en-1-amine?
(Z,2Z)-N-butyl-2-(1-methoxyethylidene)-N-[(2E,4Z)-6-methoxyhexa-2,4-dien-3-yl]pent-3-en-1-amine has a molecular weight of 307.48 g/mol, XLogP of 4.69, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2Z)-N-butyl-2-(1-methoxyethylidene)-N-[(2E,4Z)-6-methoxyhexa-2,4-dien-3-yl]pent-3-en-1-amine is sourced from PubChem (CID 142550031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).