(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

C22H38N4 — CID 166548881

IUPAC(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
SMILESC/C=c1/c(C)nnc(C)/c1=C/C(=C/CC)N(C)[C@@H](CC)CCC(N)CC
InChIInChI=1S/C22H38N4/c1-8-12-20(26(7)19(10-3)14-13-18(23)9-2)15-22-17(6)25-24-16(5)21(22)11-4/h11-12,15,18-19H,8-10,13-14,23H2,1-7H3/b20-12-,21-11-,22-15-/t18?,19-/m0/s1
InChIKeySHZCKLMAXHOTNQ-MUNSMKIZSA-N
MW358.57 g/mol
LogP3.20
Rot. Bonds9

About (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

(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 (PubChem CID 166548881) has the molecular formula C22H38N4 and a molecular weight of 358.57 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID166548881
Molecular FormulaC22H38N4
Molecular Weight358.57 g/mol
Exact Mass358.31
IUPAC Name(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
SMILESC/C=c1/c(C)nnc(C)/c1=C/C(=C/CC)N(C)[C@@H](CC)CCC(N)CC
InChIInChI=1S/C22H38N4/c1-8-12-20(26(7)19(10-3)14-13-18(23)9-2)15-22-17(6)25-24-16(5)21(22)11-4/h11-12,15,18-19H,8-10,13-14,23H2,1-7H3/b20-12-,21-11-,22-15-/t18?,19-/m0/s1
InChIKeySHZCKLMAXHOTNQ-MUNSMKIZSA-N
XLogP3.20
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.57
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (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 with MolForge

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Related Compounds

1-[10-(4-Imino-2-methyl-6,8a-dihydroquinolin-1-yl)decyl]-2-methyl-6,8a-dihydroquinolin-4-imine
CID 91013575
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
2-N-[(4-ethanimidoylcyclohexa-1,3-dien-1-yl)methyl]-6-methylhepta-1,6-diene-2,3-diamine
CID 144648298
4-N-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-imino-4-N-methylcyclohexa-1,3-diene-1,4-diamine
CID 163435351
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
(Z,1E)-1-[(5E)-5-ethylidene-3,6-dimethylpyridazin-4-ylidene]-N-methylpent-2-en-2-amine;octan-3-amine
CID 166548544
(3E)-3-[(5E)-5-ethylidene-3,6-dimethylpyridazin-4-ylidene]-N-methylprop-1-en-2-amine;piperidine
CID 166548665
N-[(Z,1E)-1-[(5E)-5-ethylidene-3,6-dimethylpyridazin-4-ylidene]pent-2-en-2-yl]-N,6-dimethyloctan-3-amine;propane
CID 166548757
(3R)-N-[(3E)-3-[(5E)-5-ethylidene-3,6-dimethylpyridazin-4-ylidene]prop-1-en-2-yl]-N-methylpiperidin-3-amine
CID 166548813
N-[(3E)-3-[(5E)-5-ethylidene-3,6-dimethylpyridazin-4-ylidene]prop-1-en-2-yl]-N-methylpiperidin-4-amine
CID 166548829

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is C/C=c1/c(C)nnc(C)/c1=C/C(=C/CC)N(C)[C@@H](CC)CCC(N)CC.
What is the InChIKey of (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?
The InChIKey is SHZCKLMAXHOTNQ-MUNSMKIZSA-N. The full InChI is InChI=1S/C22H38N4/c1-8-12-20(26(7)19(10-3)14-13-18(23)9-2)15-22-17(6)25-24-16(5)21(22)11-4/h11-12,15,18-19H,8-10,13-14,23H2,1-7H3/b20-12-,21-11-,22-15-/t18?,19-/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 358.57 g/mol, XLogP of 3.20, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 166548881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).