N'-[4-[(1,3-dimethyl-2H-imidazol-2-yl)diazenyl]phenyl]-N'-ethyl-N-pentan-3-ylethane-1,2-diamine

C20H34N6 — CID 87738291

IUPACN'-[4-[(1,3-dimethyl-2H-imidazol-2-yl)diazenyl]phenyl]-N'-ethyl-N-pentan-3-ylethane-1,2-diamine
SMILESCCC(CC)NCCN(CC)c1ccc(/N=N/C2N(C)C=CN2C)cc1
InChIInChI=1S/C20H34N6/c1-6-17(7-2)21-13-14-26(8-3)19-11-9-18(10-12-19)22-23-20-24(4)15-16-25(20)5/h9-12,15-17,20-21H,6-8,13-14H2,1-5H3/b23-22+
InChIKeyZTUJEBHZBSOPEH-GHVJWSGMSA-N
MW358.53 g/mol
LogP4.01
Rot. Bonds10

About N'-[4-[(1,3-dimethyl-2H-imidazol-2-yl)diazenyl]phenyl]-N'-ethyl-N-pentan-3-ylethane-1,2-diamine

N'-[4-[(1,3-dimethyl-2H-imidazol-2-yl)diazenyl]phenyl]-N'-ethyl-N-pentan-3-ylethane-1,2-diamine (PubChem CID 87738291) has the molecular formula C20H34N6 and a molecular weight of 358.53 g/mol. Its IUPAC name is N'-[4-[(1,3-dimethyl-2H-imidazol-2-yl)diazenyl]phenyl]-N'-ethyl-N-pentan-3-ylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[4-[(1,3-dimethyl-2H-imidazol-2-yl)diazenyl]phenyl]-N'-ethyl-N-pentan-3-ylethane-1,2-diamine
PubChem CID87738291
Molecular FormulaC20H34N6
Molecular Weight358.53 g/mol
Exact Mass358.28
IUPAC NameN'-[4-[(1,3-dimethyl-2H-imidazol-2-yl)diazenyl]phenyl]-N'-ethyl-N-pentan-3-ylethane-1,2-diamine
SMILESCCC(CC)NCCN(CC)c1ccc(/N=N/C2N(C)C=CN2C)cc1
InChIInChI=1S/C20H34N6/c1-6-17(7-2)21-13-14-26(8-3)19-11-9-18(10-12-19)22-23-20-24(4)15-16-25(20)5/h9-12,15-17,20-21H,6-8,13-14H2,1-5H3/b23-22+
InChIKeyZTUJEBHZBSOPEH-GHVJWSGMSA-N
XLogP4.01
TPSA46.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.53
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze N'-[4-[(1,3-dimethyl-2H-imidazol-2-yl)diazenyl]phenyl]-N'-ethyl-N-pentan-3-ylethane-1,2-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'-[4-[(1,3-dimethyl-2H-imidazol-2-yl)diazenyl]phenyl]-N'-ethyl-N-pentan-3-ylethane-1,2-diamine?
The IUPAC name of N'-[4-[(1,3-dimethyl-2H-imidazol-2-yl)diazenyl]phenyl]-N'-ethyl-N-pentan-3-ylethane-1,2-diamine (CID 87738291) is N'-[4-[(1,3-dimethyl-2H-imidazol-2-yl)diazenyl]phenyl]-N'-ethyl-N-pentan-3-ylethane-1,2-diamine.
What is the SMILES notation for N'-[4-[(1,3-dimethyl-2H-imidazol-2-yl)diazenyl]phenyl]-N'-ethyl-N-pentan-3-ylethane-1,2-diamine?
The canonical SMILES for N'-[4-[(1,3-dimethyl-2H-imidazol-2-yl)diazenyl]phenyl]-N'-ethyl-N-pentan-3-ylethane-1,2-diamine is CCC(CC)NCCN(CC)c1ccc(/N=N/C2N(C)C=CN2C)cc1.
What is the InChIKey of N'-[4-[(1,3-dimethyl-2H-imidazol-2-yl)diazenyl]phenyl]-N'-ethyl-N-pentan-3-ylethane-1,2-diamine?
The InChIKey is ZTUJEBHZBSOPEH-GHVJWSGMSA-N. The full InChI is InChI=1S/C20H34N6/c1-6-17(7-2)21-13-14-26(8-3)19-11-9-18(10-12-19)22-23-20-24(4)15-16-25(20)5/h9-12,15-17,20-21H,6-8,13-14H2,1-5H3/b23-22+.
What are the key properties of N'-[4-[(1,3-dimethyl-2H-imidazol-2-yl)diazenyl]phenyl]-N'-ethyl-N-pentan-3-ylethane-1,2-diamine?
N'-[4-[(1,3-dimethyl-2H-imidazol-2-yl)diazenyl]phenyl]-N'-ethyl-N-pentan-3-ylethane-1,2-diamine has a molecular weight of 358.53 g/mol, XLogP of 4.01, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-[(1,3-dimethyl-2H-imidazol-2-yl)diazenyl]phenyl]-N'-ethyl-N-pentan-3-ylethane-1,2-diamine is sourced from PubChem (CID 87738291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).