N-ethyl-N'-[4-[4-[[(E)-4-[4-[4-[4-(ethylamino)butylamino]butylamino]butylamino]but-2-enyl]amino]butylamino]butyl]butane-1,4-diamine

C32H72N8 — CID 6476699

IUPACN-ethyl-N'-[4-[4-[[(E)-4-[4-[4-[4-(ethylamino)butylamino]butylamino]butylamino]but-2-enyl]amino]butylamino]butyl]butane-1,4-diamine
SMILESCCNCCCCNCCCCNCCCCNC/C=C/CNCCCCNCCCCNCCCCNCC
InChIInChI=1S/C32H72N8/c1-3-33-19-5-7-21-35-23-9-11-25-37-27-13-15-29-39-31-17-18-32-40-30-16-14-28-38-26-12-10-24-36-22-8-6-20-34-4-2/h17-18,33-40H,3-16,19-32H2,1-2H3/b18-17+
InChIKeyASGIDNBTTUTGHX-ISLYRVAYSA-N
MW568.98 g/mol
LogP2.98
Rot. Bonds36

About N-ethyl-N'-[4-[4-[[(E)-4-[4-[4-[4-(ethylamino)butylamino]butylamino]butylamino]but-2-enyl]amino]butylamino]butyl]butane-1,4-diamine

N-ethyl-N'-[4-[4-[[(E)-4-[4-[4-[4-(ethylamino)butylamino]butylamino]butylamino]but-2-enyl]amino]butylamino]butyl]butane-1,4-diamine (PubChem CID 6476699) has the molecular formula C32H72N8 and a molecular weight of 568.98 g/mol. Its IUPAC name is N-ethyl-N'-[4-[4-[[(E)-4-[4-[4-[4-(ethylamino)butylamino]butylamino]butylamino]but-2-enyl]amino]butylamino]butyl]butane-1,4-diamine.

Molecular Properties

Compound NameN-ethyl-N'-[4-[4-[[(E)-4-[4-[4-[4-(ethylamino)butylamino]butylamino]butylamino]but-2-enyl]amino]butylamino]butyl]butane-1,4-diamine
PubChem CID6476699
Molecular FormulaC32H72N8
Molecular Weight568.98 g/mol
Exact Mass568.59
IUPAC NameN-ethyl-N'-[4-[4-[[(E)-4-[4-[4-[4-(ethylamino)butylamino]butylamino]butylamino]but-2-enyl]amino]butylamino]butyl]butane-1,4-diamine
SMILESCCNCCCCNCCCCNCCCCNC/C=C/CNCCCCNCCCCNCCCCNCC
InChIInChI=1S/C32H72N8/c1-3-33-19-5-7-21-35-23-9-11-25-37-27-13-15-29-39-31-17-18-32-40-30-16-14-28-38-26-12-10-24-36-22-8-6-20-34-4-2/h17-18,33-40H,3-16,19-32H2,1-2H3/b18-17+
InChIKeyASGIDNBTTUTGHX-ISLYRVAYSA-N
XLogP2.98
TPSA96.24 Ų
H-Bond Donors8
H-Bond Acceptors8
Rotatable Bonds36
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.98
LogP ≤ 52.98
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N-ethyl-N'-[4-[4-[[(E)-4-[4-[4-[4-(ethylamino)butylamino]butylamino]butylamino]but-2-enyl]amino]butylamino]butyl]butane-1,4-diamine 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 N-ethyl-N'-[4-[4-[[(E)-4-[4-[4-[4-(ethylamino)butylamino]butylamino]butylamino]but-2-enyl]amino]butylamino]butyl]butane-1,4-diamine?
The IUPAC name of N-ethyl-N'-[4-[4-[[(E)-4-[4-[4-[4-(ethylamino)butylamino]butylamino]butylamino]but-2-enyl]amino]butylamino]butyl]butane-1,4-diamine (CID 6476699) is N-ethyl-N'-[4-[4-[[(E)-4-[4-[4-[4-(ethylamino)butylamino]butylamino]butylamino]but-2-enyl]amino]butylamino]butyl]butane-1,4-diamine.
What is the SMILES notation for N-ethyl-N'-[4-[4-[[(E)-4-[4-[4-[4-(ethylamino)butylamino]butylamino]butylamino]but-2-enyl]amino]butylamino]butyl]butane-1,4-diamine?
The canonical SMILES for N-ethyl-N'-[4-[4-[[(E)-4-[4-[4-[4-(ethylamino)butylamino]butylamino]butylamino]but-2-enyl]amino]butylamino]butyl]butane-1,4-diamine is CCNCCCCNCCCCNCCCCNC/C=C/CNCCCCNCCCCNCCCCNCC.
What is the InChIKey of N-ethyl-N'-[4-[4-[[(E)-4-[4-[4-[4-(ethylamino)butylamino]butylamino]butylamino]but-2-enyl]amino]butylamino]butyl]butane-1,4-diamine?
The InChIKey is ASGIDNBTTUTGHX-ISLYRVAYSA-N. The full InChI is InChI=1S/C32H72N8/c1-3-33-19-5-7-21-35-23-9-11-25-37-27-13-15-29-39-31-17-18-32-40-30-16-14-28-38-26-12-10-24-36-22-8-6-20-34-4-2/h17-18,33-40H,3-16,19-32H2,1-2H3/b18-17+.
What are the key properties of N-ethyl-N'-[4-[4-[[(E)-4-[4-[4-[4-(ethylamino)butylamino]butylamino]butylamino]but-2-enyl]amino]butylamino]butyl]butane-1,4-diamine?
N-ethyl-N'-[4-[4-[[(E)-4-[4-[4-[4-(ethylamino)butylamino]butylamino]butylamino]but-2-enyl]amino]butylamino]butyl]butane-1,4-diamine has a molecular weight of 568.98 g/mol, XLogP of 2.98, 36 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-[4-[4-[[(E)-4-[4-[4-[4-(ethylamino)butylamino]butylamino]butylamino]but-2-enyl]amino]butylamino]butyl]butane-1,4-diamine is sourced from PubChem (CID 6476699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).