N'-[(1-prop-2-enylimidazol-2-yl)methyl]butane-1,4-diamine

C11H20N4 — CID 126714321

IUPACN'-[(1-prop-2-enylimidazol-2-yl)methyl]butane-1,4-diamine
SMILESC=CCn1ccnc1CNCCCCN
InChIInChI=1S/C11H20N4/c1-2-8-15-9-7-14-11(15)10-13-6-4-3-5-12/h2,7,9,13H,1,3-6,8,10,12H2
InChIKeyAUEUWRAPZAXCKC-UHFFFAOYSA-N
MW208.31 g/mol
LogP0.90
Rot. Bonds8

About N'-[(1-prop-2-enylimidazol-2-yl)methyl]butane-1,4-diamine

N'-[(1-prop-2-enylimidazol-2-yl)methyl]butane-1,4-diamine (PubChem CID 126714321) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is N'-[(1-prop-2-enylimidazol-2-yl)methyl]butane-1,4-diamine.

Molecular Properties

Compound NameN'-[(1-prop-2-enylimidazol-2-yl)methyl]butane-1,4-diamine
PubChem CID126714321
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC NameN'-[(1-prop-2-enylimidazol-2-yl)methyl]butane-1,4-diamine
SMILESC=CCn1ccnc1CNCCCCN
InChIInChI=1S/C11H20N4/c1-2-8-15-9-7-14-11(15)10-13-6-4-3-5-12/h2,7,9,13H,1,3-6,8,10,12H2
InChIKeyAUEUWRAPZAXCKC-UHFFFAOYSA-N
XLogP0.90
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N'-[(1-prop-2-enylimidazol-2-yl)methyl]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'-[(1-prop-2-enylimidazol-2-yl)methyl]butane-1,4-diamine?
The IUPAC name of N'-[(1-prop-2-enylimidazol-2-yl)methyl]butane-1,4-diamine (CID 126714321) is N'-[(1-prop-2-enylimidazol-2-yl)methyl]butane-1,4-diamine.
What is the SMILES notation for N'-[(1-prop-2-enylimidazol-2-yl)methyl]butane-1,4-diamine?
The canonical SMILES for N'-[(1-prop-2-enylimidazol-2-yl)methyl]butane-1,4-diamine is C=CCn1ccnc1CNCCCCN.
What is the InChIKey of N'-[(1-prop-2-enylimidazol-2-yl)methyl]butane-1,4-diamine?
The InChIKey is AUEUWRAPZAXCKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c1-2-8-15-9-7-14-11(15)10-13-6-4-3-5-12/h2,7,9,13H,1,3-6,8,10,12H2.
What are the key properties of N'-[(1-prop-2-enylimidazol-2-yl)methyl]butane-1,4-diamine?
N'-[(1-prop-2-enylimidazol-2-yl)methyl]butane-1,4-diamine has a molecular weight of 208.31 g/mol, XLogP of 0.90, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1-prop-2-enylimidazol-2-yl)methyl]butane-1,4-diamine is sourced from PubChem (CID 126714321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).