(2Z,3Z)-2-butan-2-ylidene-3-[(Z)-but-2-enylidene]-N-methyl-N-[(Z)-2-methylidene-4-(4-methylpiperazin-1-yl)-4-(propan-2-ylideneamino)but-3-enyl]cyclohexan-1-amine

C28H46N4 — CID 138501750

IUPAC(2Z,3Z)-2-butan-2-ylidene-3-[(Z)-but-2-enylidene]-N-methyl-N-[(Z)-2-methylidene-4-(4-methylpiperazin-1-yl)-4-(propan-2-ylideneamino)but-3-enyl]cyclohexan-1-amine
SMILESC=C(/C=C(\N=C(C)C)N1CCN(C)CC1)CN(C)C1CCCC(=C/C=C\C)/C1=C(\C)CC
InChIInChI=1S/C28H46N4/c1-9-11-13-25-14-12-15-26(28(25)24(6)10-2)31(8)21-23(5)20-27(29-22(3)4)32-18-16-30(7)17-19-32/h9,11,13,20,26H,5,10,12,14-19,21H2,1-4,6-8H3/b11-9-,25-13-,27-20+,28-24-
InChIKeyABNJEBBMPSTXIN-IXEBTNJMSA-N
MW438.70 g/mol
LogP5.83
Rot. Bonds8

About (2Z,3Z)-2-butan-2-ylidene-3-[(Z)-but-2-enylidene]-N-methyl-N-[(Z)-2-methylidene-4-(4-methylpiperazin-1-yl)-4-(propan-2-ylideneamino)but-3-enyl]cyclohexan-1-amine

(2Z,3Z)-2-butan-2-ylidene-3-[(Z)-but-2-enylidene]-N-methyl-N-[(Z)-2-methylidene-4-(4-methylpiperazin-1-yl)-4-(propan-2-ylideneamino)but-3-enyl]cyclohexan-1-amine (PubChem CID 138501750) has the molecular formula C28H46N4 and a molecular weight of 438.70 g/mol. Its IUPAC name is (2Z,3Z)-2-butan-2-ylidene-3-[(Z)-but-2-enylidene]-N-methyl-N-[(Z)-2-methylidene-4-(4-methylpiperazin-1-yl)-4-(propan-2-ylideneamino)but-3-enyl]cyclohexan-1-amine.

Molecular Properties

Compound Name(2Z,3Z)-2-butan-2-ylidene-3-[(Z)-but-2-enylidene]-N-methyl-N-[(Z)-2-methylidene-4-(4-methylpiperazin-1-yl)-4-(propan-2-ylideneamino)but-3-enyl]cyclohexan-1-amine
PubChem CID138501750
Molecular FormulaC28H46N4
Molecular Weight438.70 g/mol
Exact Mass438.37
IUPAC Name(2Z,3Z)-2-butan-2-ylidene-3-[(Z)-but-2-enylidene]-N-methyl-N-[(Z)-2-methylidene-4-(4-methylpiperazin-1-yl)-4-(propan-2-ylideneamino)but-3-enyl]cyclohexan-1-amine
SMILESC=C(/C=C(\N=C(C)C)N1CCN(C)CC1)CN(C)C1CCCC(=C/C=C\C)/C1=C(\C)CC
InChIInChI=1S/C28H46N4/c1-9-11-13-25-14-12-15-26(28(25)24(6)10-2)31(8)21-23(5)20-27(29-22(3)4)32-18-16-30(7)17-19-32/h9,11,13,20,26H,5,10,12,14-19,21H2,1-4,6-8H3/b11-9-,25-13-,27-20+,28-24-
InChIKeyABNJEBBMPSTXIN-IXEBTNJMSA-N
XLogP5.83
TPSA22.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.70
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (2Z,3Z)-2-butan-2-ylidene-3-[(Z)-but-2-enylidene]-N-methyl-N-[(Z)-2-methylidene-4-(4-methylpiperazin-1-yl)-4-(propan-2-ylideneamino)but-3-enyl]cyclohexan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2Z,3Z)-2-butan-2-ylidene-3-[(Z)-but-2-enylidene]-N-methyl-N-[(Z)-2-methylidene-4-(4-methylpiperazin-1-yl)-4-(propan-2-ylideneamino)but-3-enyl]cyclohexan-1-amine?
The IUPAC name of (2Z,3Z)-2-butan-2-ylidene-3-[(Z)-but-2-enylidene]-N-methyl-N-[(Z)-2-methylidene-4-(4-methylpiperazin-1-yl)-4-(propan-2-ylideneamino)but-3-enyl]cyclohexan-1-amine (CID 138501750) is (2Z,3Z)-2-butan-2-ylidene-3-[(Z)-but-2-enylidene]-N-methyl-N-[(Z)-2-methylidene-4-(4-methylpiperazin-1-yl)-4-(propan-2-ylideneamino)but-3-enyl]cyclohexan-1-amine.
What is the SMILES notation for (2Z,3Z)-2-butan-2-ylidene-3-[(Z)-but-2-enylidene]-N-methyl-N-[(Z)-2-methylidene-4-(4-methylpiperazin-1-yl)-4-(propan-2-ylideneamino)but-3-enyl]cyclohexan-1-amine?
The canonical SMILES for (2Z,3Z)-2-butan-2-ylidene-3-[(Z)-but-2-enylidene]-N-methyl-N-[(Z)-2-methylidene-4-(4-methylpiperazin-1-yl)-4-(propan-2-ylideneamino)but-3-enyl]cyclohexan-1-amine is C=C(/C=C(\N=C(C)C)N1CCN(C)CC1)CN(C)C1CCCC(=C/C=C\C)/C1=C(\C)CC.
What is the InChIKey of (2Z,3Z)-2-butan-2-ylidene-3-[(Z)-but-2-enylidene]-N-methyl-N-[(Z)-2-methylidene-4-(4-methylpiperazin-1-yl)-4-(propan-2-ylideneamino)but-3-enyl]cyclohexan-1-amine?
The InChIKey is ABNJEBBMPSTXIN-IXEBTNJMSA-N. The full InChI is InChI=1S/C28H46N4/c1-9-11-13-25-14-12-15-26(28(25)24(6)10-2)31(8)21-23(5)20-27(29-22(3)4)32-18-16-30(7)17-19-32/h9,11,13,20,26H,5,10,12,14-19,21H2,1-4,6-8H3/b11-9-,25-13-,27-20+,28-24-.
What are the key properties of (2Z,3Z)-2-butan-2-ylidene-3-[(Z)-but-2-enylidene]-N-methyl-N-[(Z)-2-methylidene-4-(4-methylpiperazin-1-yl)-4-(propan-2-ylideneamino)but-3-enyl]cyclohexan-1-amine?
(2Z,3Z)-2-butan-2-ylidene-3-[(Z)-but-2-enylidene]-N-methyl-N-[(Z)-2-methylidene-4-(4-methylpiperazin-1-yl)-4-(propan-2-ylideneamino)but-3-enyl]cyclohexan-1-amine has a molecular weight of 438.70 g/mol, XLogP of 5.83, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,3Z)-2-butan-2-ylidene-3-[(Z)-but-2-enylidene]-N-methyl-N-[(Z)-2-methylidene-4-(4-methylpiperazin-1-yl)-4-(propan-2-ylideneamino)but-3-enyl]cyclohexan-1-amine is sourced from PubChem (CID 138501750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).