(2Z)-2-(ethylideneamino)-N-(2-piperazin-1-ylethyl)penta-2,4-dien-1-amine

C13H24N4 — CID 142137280

IUPAC(2Z)-2-(ethylideneamino)-N-(2-piperazin-1-ylethyl)penta-2,4-dien-1-amine
SMILESC=C/C=C(CNCCN1CCNCC1)\N=C\C
InChIInChI=1S/C13H24N4/c1-3-5-13(16-4-2)12-15-8-11-17-9-6-14-7-10-17/h3-5,14-15H,1,6-12H2,2H3/b13-5-,16-4+
InChIKeyVQNGXFURUGBOMS-NXNYSYPZSA-N
MW236.36 g/mol
LogP0.64
Rot. Bonds7

About (2Z)-2-(ethylideneamino)-N-(2-piperazin-1-ylethyl)penta-2,4-dien-1-amine

(2Z)-2-(ethylideneamino)-N-(2-piperazin-1-ylethyl)penta-2,4-dien-1-amine (PubChem CID 142137280) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is (2Z)-2-(ethylideneamino)-N-(2-piperazin-1-ylethyl)penta-2,4-dien-1-amine.

Molecular Properties

Compound Name(2Z)-2-(ethylideneamino)-N-(2-piperazin-1-ylethyl)penta-2,4-dien-1-amine
PubChem CID142137280
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name(2Z)-2-(ethylideneamino)-N-(2-piperazin-1-ylethyl)penta-2,4-dien-1-amine
SMILESC=C/C=C(CNCCN1CCNCC1)\N=C\C
InChIInChI=1S/C13H24N4/c1-3-5-13(16-4-2)12-15-8-11-17-9-6-14-7-10-17/h3-5,14-15H,1,6-12H2,2H3/b13-5-,16-4+
InChIKeyVQNGXFURUGBOMS-NXNYSYPZSA-N
XLogP0.64
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-methylpenta-1,3-diene;1-propylpiperazine
CID 142068164
3-(aziridin-1-yl)-N-(2-piperazin-1-ylethyl)propan-1-amine
CID 544912
1-ethenyl-3-(2-piperazin-1-ylethyl)urea
CID 108909147
N-ethenyl-2-piperazin-1-ylethanamine;methanimine;2-methylpropane
CID 145338320
2-(1-methylpiperidin-4-yl)-N-(2-piperazin-1-ylethyl)ethanamine
CID 115230410
N-(2-piperazin-1-ylethyl)octan-1-amine
CID 115568684
N-(2-piperazin-1-ylethyl)tetradecan-1-amine
CID 22706682
N,N'-bis(2-piperazin-1-ylethyl)ethanedithioamide
CID 3034507
2-methyl-N-(2-piperazin-1-ylethyl)propan-2-amine
CID 23592356
N-methyl-N-(2-piperazin-1-ylethyl)prop-2-en-1-amine
CID 63265346
ethyl 3-(2-piperazin-1-ylethylamino)propanoate
CID 54544450
3-methyl-N-(2-piperazin-1-ylethyl)but-2-enamide
CID 43600174

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(ethylideneamino)-N-(2-piperazin-1-ylethyl)penta-2,4-dien-1-amine?
The IUPAC name of (2Z)-2-(ethylideneamino)-N-(2-piperazin-1-ylethyl)penta-2,4-dien-1-amine (CID 142137280) is (2Z)-2-(ethylideneamino)-N-(2-piperazin-1-ylethyl)penta-2,4-dien-1-amine.
What is the SMILES notation for (2Z)-2-(ethylideneamino)-N-(2-piperazin-1-ylethyl)penta-2,4-dien-1-amine?
The canonical SMILES for (2Z)-2-(ethylideneamino)-N-(2-piperazin-1-ylethyl)penta-2,4-dien-1-amine is C=C/C=C(CNCCN1CCNCC1)\N=C\C.
What is the InChIKey of (2Z)-2-(ethylideneamino)-N-(2-piperazin-1-ylethyl)penta-2,4-dien-1-amine?
The InChIKey is VQNGXFURUGBOMS-NXNYSYPZSA-N. The full InChI is InChI=1S/C13H24N4/c1-3-5-13(16-4-2)12-15-8-11-17-9-6-14-7-10-17/h3-5,14-15H,1,6-12H2,2H3/b13-5-,16-4+.
What are the key properties of (2Z)-2-(ethylideneamino)-N-(2-piperazin-1-ylethyl)penta-2,4-dien-1-amine?
(2Z)-2-(ethylideneamino)-N-(2-piperazin-1-ylethyl)penta-2,4-dien-1-amine has a molecular weight of 236.36 g/mol, XLogP of 0.64, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(ethylideneamino)-N-(2-piperazin-1-ylethyl)penta-2,4-dien-1-amine is sourced from PubChem (CID 142137280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).