N-tert-butyl-1-[(4E,6E)-deca-4,6-dienyl]-4,5-dihydroimidazol-2-amine

C17H31N3 — CID 168820146

IUPACN-tert-butyl-1-[(4E,6E)-deca-4,6-dienyl]-4,5-dihydroimidazol-2-amine
SMILESCCC/C=C/C=C/CCCN1CCN=C1NC(C)(C)C
InChIInChI=1S/C17H31N3/c1-5-6-7-8-9-10-11-12-14-20-15-13-18-16(20)19-17(2,3)4/h7-10H,5-6,11-15H2,1-4H3,(H,18,19)/b8-7+,10-9+
InChIKeyBZKVWDBTMNPYJI-XBLVEGMJSA-N
MW277.46 g/mol
LogP3.74
Rot. Bonds7

About N-tert-butyl-1-[(4E,6E)-deca-4,6-dienyl]-4,5-dihydroimidazol-2-amine

N-tert-butyl-1-[(4E,6E)-deca-4,6-dienyl]-4,5-dihydroimidazol-2-amine (PubChem CID 168820146) has the molecular formula C17H31N3 and a molecular weight of 277.46 g/mol. Its IUPAC name is N-tert-butyl-1-[(4E,6E)-deca-4,6-dienyl]-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound NameN-tert-butyl-1-[(4E,6E)-deca-4,6-dienyl]-4,5-dihydroimidazol-2-amine
PubChem CID168820146
Molecular FormulaC17H31N3
Molecular Weight277.46 g/mol
Exact Mass277.25
IUPAC NameN-tert-butyl-1-[(4E,6E)-deca-4,6-dienyl]-4,5-dihydroimidazol-2-amine
SMILESCCC/C=C/C=C/CCCN1CCN=C1NC(C)(C)C
InChIInChI=1S/C17H31N3/c1-5-6-7-8-9-10-11-12-14-20-15-13-18-16(20)19-17(2,3)4/h7-10H,5-6,11-15H2,1-4H3,(H,18,19)/b8-7+,10-9+
InChIKeyBZKVWDBTMNPYJI-XBLVEGMJSA-N
XLogP3.74
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.46
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-tert-butyl-1-[(4E,6E)-deca-4,6-dienyl]-4,5-dihydroimidazol-2-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 N-tert-butyl-1-[(4E,6E)-deca-4,6-dienyl]-4,5-dihydroimidazol-2-amine?
The IUPAC name of N-tert-butyl-1-[(4E,6E)-deca-4,6-dienyl]-4,5-dihydroimidazol-2-amine (CID 168820146) is N-tert-butyl-1-[(4E,6E)-deca-4,6-dienyl]-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for N-tert-butyl-1-[(4E,6E)-deca-4,6-dienyl]-4,5-dihydroimidazol-2-amine?
The canonical SMILES for N-tert-butyl-1-[(4E,6E)-deca-4,6-dienyl]-4,5-dihydroimidazol-2-amine is CCC/C=C/C=C/CCCN1CCN=C1NC(C)(C)C.
What is the InChIKey of N-tert-butyl-1-[(4E,6E)-deca-4,6-dienyl]-4,5-dihydroimidazol-2-amine?
The InChIKey is BZKVWDBTMNPYJI-XBLVEGMJSA-N. The full InChI is InChI=1S/C17H31N3/c1-5-6-7-8-9-10-11-12-14-20-15-13-18-16(20)19-17(2,3)4/h7-10H,5-6,11-15H2,1-4H3,(H,18,19)/b8-7+,10-9+.
What are the key properties of N-tert-butyl-1-[(4E,6E)-deca-4,6-dienyl]-4,5-dihydroimidazol-2-amine?
N-tert-butyl-1-[(4E,6E)-deca-4,6-dienyl]-4,5-dihydroimidazol-2-amine has a molecular weight of 277.46 g/mol, XLogP of 3.74, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1-[(4E,6E)-deca-4,6-dienyl]-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 168820146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).