(Z,1E)-1-[(5E)-5-ethylidene-3,6-dimethylpyridazin-4-ylidene]-N-methylpent-2-en-2-amine;octan-3-amine

C22H40N4 — CID 166548544

IUPAC(Z,1E)-1-[(5E)-5-ethylidene-3,6-dimethylpyridazin-4-ylidene]-N-methylpent-2-en-2-amine;octan-3-amine
SMILESC/C=c1\c(C)nnc(C)\c1=C\C(=C\CC)NC.CCCCCC(N)CC
InChIInChI=1S/C14H21N3.C8H19N/c1-6-8-12(15-5)9-14-11(4)17-16-10(3)13(14)7-2;1-3-5-6-7-8(9)4-2/h7-9,15H,6H2,1-5H3;8H,3-7,9H2,1-2H3/b12-8-,13-7+,14-9-;
InChIKeyATOAAQMNUWZLKH-NXZIGLIOSA-N
MW360.59 g/mol
LogP3.49
Rot. Bonds8

About (Z,1E)-1-[(5E)-5-ethylidene-3,6-dimethylpyridazin-4-ylidene]-N-methylpent-2-en-2-amine;octan-3-amine

(Z,1E)-1-[(5E)-5-ethylidene-3,6-dimethylpyridazin-4-ylidene]-N-methylpent-2-en-2-amine;octan-3-amine (PubChem CID 166548544) has the molecular formula C22H40N4 and a molecular weight of 360.59 g/mol. Its IUPAC name is (Z,1E)-1-[(5E)-5-ethylidene-3,6-dimethylpyridazin-4-ylidene]-N-methylpent-2-en-2-amine;octan-3-amine.

Molecular Properties

Compound Name(Z,1E)-1-[(5E)-5-ethylidene-3,6-dimethylpyridazin-4-ylidene]-N-methylpent-2-en-2-amine;octan-3-amine
PubChem CID166548544
Molecular FormulaC22H40N4
Molecular Weight360.59 g/mol
Exact Mass360.33
IUPAC Name(Z,1E)-1-[(5E)-5-ethylidene-3,6-dimethylpyridazin-4-ylidene]-N-methylpent-2-en-2-amine;octan-3-amine
SMILESC/C=c1\c(C)nnc(C)\c1=C\C(=C\CC)NC.CCCCCC(N)CC
InChIInChI=1S/C14H21N3.C8H19N/c1-6-8-12(15-5)9-14-11(4)17-16-10(3)13(14)7-2;1-3-5-6-7-8(9)4-2/h7-9,15H,6H2,1-5H3;8H,3-7,9H2,1-2H3/b12-8-,13-7+,14-9-;
InChIKeyATOAAQMNUWZLKH-NXZIGLIOSA-N
XLogP3.49
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.59
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

N-butyl-4-(2-pentyliminopropylidene)dec-2-en-2-amine
CID 59120187
N'-[4-[(6-cyclohexa-1,5-dien-1-ylimino-4-imino-3-methylcyclohex-2-en-1-ylidene)amino]-6-methylcyclohexa-2,4-dien-1-yl]hexane-1,6-diamine
CID 123314455
(5Z)-N-methyl-5-[(Z)-3-(2-methyl-3,4,5,6-tetrahydroquinolin-7-yl)prop-1-enyl]octa-5,7-dien-1-amine
CID 129058452
3-Tert-butyl-6-pentylcyclohepta-1,3,5-trien-1-amine;ethane;6-iminocyclohexa-2,4-dien-1-amine
CID 142376834
2-N-[(4-ethanimidoylcyclohexa-1,3-dien-1-yl)methyl]-6-methylhepta-1,6-diene-2,3-diamine
CID 144648298
2-imino-3-(6-methylhept-6-enyl)-5-methylidene-N-propylcyclohex-3-en-1-amine
CID 163746263
(Z,1E)-1-[(5E)-5-ethylidene-3,6-dimethylpyridazin-4-ylidene]-N-methylpent-2-en-2-amine;1-methylpiperidine
CID 166548434
(3E)-3-[(5E)-5-ethylidene-3,6-dimethylpyridazin-4-ylidene]-N-methylprop-1-en-2-amine;piperidine
CID 166548665
N-[(3E)-3-[(5E)-5-ethylidene-3,6-dimethylpyridazin-4-ylidene]prop-1-en-2-yl]-N-methylpiperidin-4-amine
CID 166548829
(Z,1E)-1-[(5E)-5-ethylidene-3,6-dimethylpyridazin-4-ylidene]-N-methylpent-2-en-2-amine;3-methyloctane;propane
CID 166548844
(6S)-6-N-[(Z,1E)-1-[(5E)-5-ethylidene-3,6-dimethylpyridazin-4-ylidene]pent-2-en-2-yl]-6-N-methyloctane-3,6-diamine
CID 166548881
(3Z)-3-[(4,6-dimethyl-2-methylidene-1H-pyridin-3-yl)methyl]-2-(C-methyl-N-propan-2-ylcarbonimidoyl)penta-1,3-dien-1-amine
CID 173759240

Frequently Asked Questions

What is the IUPAC name of (Z,1E)-1-[(5E)-5-ethylidene-3,6-dimethylpyridazin-4-ylidene]-N-methylpent-2-en-2-amine;octan-3-amine?
The IUPAC name of (Z,1E)-1-[(5E)-5-ethylidene-3,6-dimethylpyridazin-4-ylidene]-N-methylpent-2-en-2-amine;octan-3-amine (CID 166548544) is (Z,1E)-1-[(5E)-5-ethylidene-3,6-dimethylpyridazin-4-ylidene]-N-methylpent-2-en-2-amine;octan-3-amine.
What is the SMILES notation for (Z,1E)-1-[(5E)-5-ethylidene-3,6-dimethylpyridazin-4-ylidene]-N-methylpent-2-en-2-amine;octan-3-amine?
The canonical SMILES for (Z,1E)-1-[(5E)-5-ethylidene-3,6-dimethylpyridazin-4-ylidene]-N-methylpent-2-en-2-amine;octan-3-amine is C/C=c1\c(C)nnc(C)\c1=C\C(=C\CC)NC.CCCCCC(N)CC.
What is the InChIKey of (Z,1E)-1-[(5E)-5-ethylidene-3,6-dimethylpyridazin-4-ylidene]-N-methylpent-2-en-2-amine;octan-3-amine?
The InChIKey is ATOAAQMNUWZLKH-NXZIGLIOSA-N. The full InChI is InChI=1S/C14H21N3.C8H19N/c1-6-8-12(15-5)9-14-11(4)17-16-10(3)13(14)7-2;1-3-5-6-7-8(9)4-2/h7-9,15H,6H2,1-5H3;8H,3-7,9H2,1-2H3/b12-8-,13-7+,14-9-;.
What are the key properties of (Z,1E)-1-[(5E)-5-ethylidene-3,6-dimethylpyridazin-4-ylidene]-N-methylpent-2-en-2-amine;octan-3-amine?
(Z,1E)-1-[(5E)-5-ethylidene-3,6-dimethylpyridazin-4-ylidene]-N-methylpent-2-en-2-amine;octan-3-amine has a molecular weight of 360.59 g/mol, XLogP of 3.49, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,1E)-1-[(5E)-5-ethylidene-3,6-dimethylpyridazin-4-ylidene]-N-methylpent-2-en-2-amine;octan-3-amine is sourced from PubChem (CID 166548544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).