(Z,2E)-N-[1-[4-[2-amino-2-[(Z)-[(Z)-3-aminobut-2-enylidene]amino]ethyl]piperidin-1-yl]ethenyl]-2-ethylidenepent-3-en-1-amine

C20H35N5 — CID 143567237

IUPAC(Z,2E)-N-[1-[4-[2-amino-2-[(Z)-[(Z)-3-aminobut-2-enylidene]amino]ethyl]piperidin-1-yl]ethenyl]-2-ethylidenepent-3-en-1-amine
SMILESC=C(NCC(/C=C\C)=C/C)N1CCC(CC(N)/N=C\C=C(\C)N)CC1
InChIInChI=1S/C20H35N5/c1-5-7-18(6-2)15-24-17(4)25-12-9-19(10-13-25)14-20(22)23-11-8-16(3)21/h5-8,11,19-20,24H,4,9-10,12-15,21-22H2,1-3H3/b7-5-,16-8-,18-6+,23-11-
InChIKeyGZSIJHYVGQICHS-OYXRSAAASA-N
MW345.54 g/mol
LogP2.89
Rot. Bonds9

About (Z,2E)-N-[1-[4-[2-amino-2-[(Z)-[(Z)-3-aminobut-2-enylidene]amino]ethyl]piperidin-1-yl]ethenyl]-2-ethylidenepent-3-en-1-amine

(Z,2E)-N-[1-[4-[2-amino-2-[(Z)-[(Z)-3-aminobut-2-enylidene]amino]ethyl]piperidin-1-yl]ethenyl]-2-ethylidenepent-3-en-1-amine (PubChem CID 143567237) has the molecular formula C20H35N5 and a molecular weight of 345.54 g/mol. Its IUPAC name is (Z,2E)-N-[1-[4-[2-amino-2-[(Z)-[(Z)-3-aminobut-2-enylidene]amino]ethyl]piperidin-1-yl]ethenyl]-2-ethylidenepent-3-en-1-amine.

Molecular Properties

Compound Name(Z,2E)-N-[1-[4-[2-amino-2-[(Z)-[(Z)-3-aminobut-2-enylidene]amino]ethyl]piperidin-1-yl]ethenyl]-2-ethylidenepent-3-en-1-amine
PubChem CID143567237
Molecular FormulaC20H35N5
Molecular Weight345.54 g/mol
Exact Mass345.29
IUPAC Name(Z,2E)-N-[1-[4-[2-amino-2-[(Z)-[(Z)-3-aminobut-2-enylidene]amino]ethyl]piperidin-1-yl]ethenyl]-2-ethylidenepent-3-en-1-amine
SMILESC=C(NCC(/C=C\C)=C/C)N1CCC(CC(N)/N=C\C=C(\C)N)CC1
InChIInChI=1S/C20H35N5/c1-5-7-18(6-2)15-24-17(4)25-12-9-19(10-13-25)14-20(22)23-11-8-16(3)21/h5-8,11,19-20,24H,4,9-10,12-15,21-22H2,1-3H3/b7-5-,16-8-,18-6+,23-11-
InChIKeyGZSIJHYVGQICHS-OYXRSAAASA-N
XLogP2.89
TPSA79.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.54
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (Z,2E)-N-[1-[4-[2-amino-2-[(Z)-[(Z)-3-aminobut-2-enylidene]amino]ethyl]piperidin-1-yl]ethenyl]-2-ethylidenepent-3-en-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 (Z,2E)-N-[1-[4-[2-amino-2-[(Z)-[(Z)-3-aminobut-2-enylidene]amino]ethyl]piperidin-1-yl]ethenyl]-2-ethylidenepent-3-en-1-amine?
The IUPAC name of (Z,2E)-N-[1-[4-[2-amino-2-[(Z)-[(Z)-3-aminobut-2-enylidene]amino]ethyl]piperidin-1-yl]ethenyl]-2-ethylidenepent-3-en-1-amine (CID 143567237) is (Z,2E)-N-[1-[4-[2-amino-2-[(Z)-[(Z)-3-aminobut-2-enylidene]amino]ethyl]piperidin-1-yl]ethenyl]-2-ethylidenepent-3-en-1-amine.
What is the SMILES notation for (Z,2E)-N-[1-[4-[2-amino-2-[(Z)-[(Z)-3-aminobut-2-enylidene]amino]ethyl]piperidin-1-yl]ethenyl]-2-ethylidenepent-3-en-1-amine?
The canonical SMILES for (Z,2E)-N-[1-[4-[2-amino-2-[(Z)-[(Z)-3-aminobut-2-enylidene]amino]ethyl]piperidin-1-yl]ethenyl]-2-ethylidenepent-3-en-1-amine is C=C(NCC(/C=C\C)=C/C)N1CCC(CC(N)/N=C\C=C(\C)N)CC1.
What is the InChIKey of (Z,2E)-N-[1-[4-[2-amino-2-[(Z)-[(Z)-3-aminobut-2-enylidene]amino]ethyl]piperidin-1-yl]ethenyl]-2-ethylidenepent-3-en-1-amine?
The InChIKey is GZSIJHYVGQICHS-OYXRSAAASA-N. The full InChI is InChI=1S/C20H35N5/c1-5-7-18(6-2)15-24-17(4)25-12-9-19(10-13-25)14-20(22)23-11-8-16(3)21/h5-8,11,19-20,24H,4,9-10,12-15,21-22H2,1-3H3/b7-5-,16-8-,18-6+,23-11-.
What are the key properties of (Z,2E)-N-[1-[4-[2-amino-2-[(Z)-[(Z)-3-aminobut-2-enylidene]amino]ethyl]piperidin-1-yl]ethenyl]-2-ethylidenepent-3-en-1-amine?
(Z,2E)-N-[1-[4-[2-amino-2-[(Z)-[(Z)-3-aminobut-2-enylidene]amino]ethyl]piperidin-1-yl]ethenyl]-2-ethylidenepent-3-en-1-amine has a molecular weight of 345.54 g/mol, XLogP of 2.89, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2E)-N-[1-[4-[2-amino-2-[(Z)-[(Z)-3-aminobut-2-enylidene]amino]ethyl]piperidin-1-yl]ethenyl]-2-ethylidenepent-3-en-1-amine is sourced from PubChem (CID 143567237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).