(1E,3Z)-4-(methylideneamino)-1-piperazin-1-ylhexa-1,3-dien-1-amine

C11H20N4 — CID 134406292

IUPAC(1E,3Z)-4-(methylideneamino)-1-piperazin-1-ylhexa-1,3-dien-1-amine
SMILESC=N/C(=C\C=C(/N)N1CCNCC1)CC
InChIInChI=1S/C11H20N4/c1-3-10(13-2)4-5-11(12)15-8-6-14-7-9-15/h4-5,14H,2-3,6-9,12H2,1H3/b10-4-,11-5+
InChIKeyVGXRDQXGNDMAIG-WIZYTBDYSA-N
MW208.31 g/mol
LogP0.69
Rot. Bonds4

About (1E,3Z)-4-(methylideneamino)-1-piperazin-1-ylhexa-1,3-dien-1-amine

(1E,3Z)-4-(methylideneamino)-1-piperazin-1-ylhexa-1,3-dien-1-amine (PubChem CID 134406292) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is (1E,3Z)-4-(methylideneamino)-1-piperazin-1-ylhexa-1,3-dien-1-amine.

Molecular Properties

Compound Name(1E,3Z)-4-(methylideneamino)-1-piperazin-1-ylhexa-1,3-dien-1-amine
PubChem CID134406292
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC Name(1E,3Z)-4-(methylideneamino)-1-piperazin-1-ylhexa-1,3-dien-1-amine
SMILESC=N/C(=C\C=C(/N)N1CCNCC1)CC
InChIInChI=1S/C11H20N4/c1-3-10(13-2)4-5-11(12)15-8-6-14-7-9-15/h4-5,14H,2-3,6-9,12H2,1H3/b10-4-,11-5+
InChIKeyVGXRDQXGNDMAIG-WIZYTBDYSA-N
XLogP0.69
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[(3E)-hexa-3,5-dien-3-yl]piperazine
CID 144808448
N'-ethylpiperazine-1-carboximidamide
CID 54270483
ethane;N'-ethenyl-N-methylidenepiperazine-1-carboximidamide
CID 168939199
ethyl piperazine-1-carboxylate;formyl chloride
CID 174617176
3,3-diethylhex-5-enyl piperazine-1-carboxylate
CID 129160317
N'-(aminomethyl)piperazine-1-carboximidamide
CID 90953037
ethyl 4-(2-oxo-2-piperazin-1-ylacetyl)piperazine-1-carboxylate
CID 28507309
ethyl piperazine-1-carboxylate;sulfuric acid
CID 69107916
butanedioic acid;bis(piperazine-1-carboxamide)
CID 174927444
N'-[(Z)-2-aminoethenyl]piperazine-1-carboximidamide
CID 155722729
(1E,3E)-1-iodo-4-(piperazin-1-ylmethyl)hexa-1,3-dien-1-amine
CID 134406327
1-(1,4-diazepan-1-yl)-N-ethylpropan-1-imine
CID 123287600

Frequently Asked Questions

What is the IUPAC name of (1E,3Z)-4-(methylideneamino)-1-piperazin-1-ylhexa-1,3-dien-1-amine?
The IUPAC name of (1E,3Z)-4-(methylideneamino)-1-piperazin-1-ylhexa-1,3-dien-1-amine (CID 134406292) is (1E,3Z)-4-(methylideneamino)-1-piperazin-1-ylhexa-1,3-dien-1-amine.
What is the SMILES notation for (1E,3Z)-4-(methylideneamino)-1-piperazin-1-ylhexa-1,3-dien-1-amine?
The canonical SMILES for (1E,3Z)-4-(methylideneamino)-1-piperazin-1-ylhexa-1,3-dien-1-amine is C=N/C(=C\C=C(/N)N1CCNCC1)CC.
What is the InChIKey of (1E,3Z)-4-(methylideneamino)-1-piperazin-1-ylhexa-1,3-dien-1-amine?
The InChIKey is VGXRDQXGNDMAIG-WIZYTBDYSA-N. The full InChI is InChI=1S/C11H20N4/c1-3-10(13-2)4-5-11(12)15-8-6-14-7-9-15/h4-5,14H,2-3,6-9,12H2,1H3/b10-4-,11-5+.
What are the key properties of (1E,3Z)-4-(methylideneamino)-1-piperazin-1-ylhexa-1,3-dien-1-amine?
(1E,3Z)-4-(methylideneamino)-1-piperazin-1-ylhexa-1,3-dien-1-amine has a molecular weight of 208.31 g/mol, XLogP of 0.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3Z)-4-(methylideneamino)-1-piperazin-1-ylhexa-1,3-dien-1-amine is sourced from PubChem (CID 134406292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).