(1E,3Z)-1-(4-pentylpiperazin-1-yl)penta-1,3-diene-1,4-diamine

C14H28N4 — CID 134406444

IUPAC(1E,3Z)-1-(4-pentylpiperazin-1-yl)penta-1,3-diene-1,4-diamine
SMILESCCCCCN1CCN(/C(N)=C/C=C(/C)N)CC1
InChIInChI=1S/C14H28N4/c1-3-4-5-8-17-9-11-18(12-10-17)14(16)7-6-13(2)15/h6-7H,3-5,8-12,15-16H2,1-2H3/b13-6-,14-7+
InChIKeyOXLIKNQEZAYOJH-SBLPDQQFSA-N
MW252.41 g/mol
LogP1.46
Rot. Bonds6

About (1E,3Z)-1-(4-pentylpiperazin-1-yl)penta-1,3-diene-1,4-diamine

(1E,3Z)-1-(4-pentylpiperazin-1-yl)penta-1,3-diene-1,4-diamine (PubChem CID 134406444) has the molecular formula C14H28N4 and a molecular weight of 252.41 g/mol. Its IUPAC name is (1E,3Z)-1-(4-pentylpiperazin-1-yl)penta-1,3-diene-1,4-diamine.

Molecular Properties

Compound Name(1E,3Z)-1-(4-pentylpiperazin-1-yl)penta-1,3-diene-1,4-diamine
PubChem CID134406444
Molecular FormulaC14H28N4
Molecular Weight252.41 g/mol
Exact Mass252.23
IUPAC Name(1E,3Z)-1-(4-pentylpiperazin-1-yl)penta-1,3-diene-1,4-diamine
SMILESCCCCCN1CCN(/C(N)=C/C=C(/C)N)CC1
InChIInChI=1S/C14H28N4/c1-3-4-5-8-17-9-11-18(12-10-17)14(16)7-6-13(2)15/h6-7H,3-5,8-12,15-16H2,1-2H3/b13-6-,14-7+
InChIKeyOXLIKNQEZAYOJH-SBLPDQQFSA-N
XLogP1.46
TPSA58.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.41
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1E,3Z)-1-(4-pentylpiperazin-1-yl)penta-1,3-diene-1,4-diamine?
The IUPAC name of (1E,3Z)-1-(4-pentylpiperazin-1-yl)penta-1,3-diene-1,4-diamine (CID 134406444) is (1E,3Z)-1-(4-pentylpiperazin-1-yl)penta-1,3-diene-1,4-diamine.
What is the SMILES notation for (1E,3Z)-1-(4-pentylpiperazin-1-yl)penta-1,3-diene-1,4-diamine?
The canonical SMILES for (1E,3Z)-1-(4-pentylpiperazin-1-yl)penta-1,3-diene-1,4-diamine is CCCCCN1CCN(/C(N)=C/C=C(/C)N)CC1.
What is the InChIKey of (1E,3Z)-1-(4-pentylpiperazin-1-yl)penta-1,3-diene-1,4-diamine?
The InChIKey is OXLIKNQEZAYOJH-SBLPDQQFSA-N. The full InChI is InChI=1S/C14H28N4/c1-3-4-5-8-17-9-11-18(12-10-17)14(16)7-6-13(2)15/h6-7H,3-5,8-12,15-16H2,1-2H3/b13-6-,14-7+.
What are the key properties of (1E,3Z)-1-(4-pentylpiperazin-1-yl)penta-1,3-diene-1,4-diamine?
(1E,3Z)-1-(4-pentylpiperazin-1-yl)penta-1,3-diene-1,4-diamine has a molecular weight of 252.41 g/mol, XLogP of 1.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3Z)-1-(4-pentylpiperazin-1-yl)penta-1,3-diene-1,4-diamine is sourced from PubChem (CID 134406444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).