4-[(1Z)-buta-1,3-dienyl]-N-ethyl-5-methyl-N-(3-methylbutyl)-1H-imidazol-2-amine

C15H25N3 — CID 143189850

IUPAC4-[(1Z)-buta-1,3-dienyl]-N-ethyl-5-methyl-N-(3-methylbutyl)-1H-imidazol-2-amine
SMILESC=C/C=C\c1nc(N(CC)CCC(C)C)[nH]c1C
InChIInChI=1S/C15H25N3/c1-6-8-9-14-13(5)16-15(17-14)18(7-2)11-10-12(3)4/h6,8-9,12H,1,7,10-11H2,2-5H3,(H,16,17)/b9-8-
InChIKeyQIAMDLBSIMVFRO-HJWRWDBZSA-N
MW247.39 g/mol
LogP3.79
Rot. Bonds7

About 4-[(1Z)-buta-1,3-dienyl]-N-ethyl-5-methyl-N-(3-methylbutyl)-1H-imidazol-2-amine

4-[(1Z)-buta-1,3-dienyl]-N-ethyl-5-methyl-N-(3-methylbutyl)-1H-imidazol-2-amine (PubChem CID 143189850) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 4-[(1Z)-buta-1,3-dienyl]-N-ethyl-5-methyl-N-(3-methylbutyl)-1H-imidazol-2-amine.

Molecular Properties

Compound Name4-[(1Z)-buta-1,3-dienyl]-N-ethyl-5-methyl-N-(3-methylbutyl)-1H-imidazol-2-amine
PubChem CID143189850
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name4-[(1Z)-buta-1,3-dienyl]-N-ethyl-5-methyl-N-(3-methylbutyl)-1H-imidazol-2-amine
SMILESC=C/C=C\c1nc(N(CC)CCC(C)C)[nH]c1C
InChIInChI=1S/C15H25N3/c1-6-8-9-14-13(5)16-15(17-14)18(7-2)11-10-12(3)4/h6,8-9,12H,1,7,10-11H2,2-5H3,(H,16,17)/b9-8-
InChIKeyQIAMDLBSIMVFRO-HJWRWDBZSA-N
XLogP3.79
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[(1Z)-buta-1,3-dienyl]-N-ethyl-5-methyl-N-(3-methylbutyl)-1H-imidazol-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

Related Compounds

6-[ethyl(3-methylbutyl)amino]-1H-1,3,5-triazine-2,4-dithione
CID 56991116
4-[(1Z)-buta-1,3-dienyl]-2,5-dimethyl-1H-imidazole;ethane
CID 143037368
6-[(1Z)-buta-1,3-dienyl]-2-(ethoxymethyl)-7-(3-methylbutoxymethyl)-3H-imidazo[4,5-c]pyridin-4-amine
CID 170083339
4-[(1Z)-buta-1,3-dienyl]-5-methyl-2-propan-2-yl-1,3-thiazole
CID 148716606
4-[(1Z)-buta-1,3-dienyl]-2-iodo-5-methyl-1,3-thiazole
CID 126737609
2-(diethylamino)-4-methyl-5-prop-2-enyl-1H-pyrimidin-6-one
CID 135698526
4-[(1Z)-buta-1,3-dienyl]-3-(3-methylbutyl)pyridine
CID 126703741
1-(1H-benzimidazol-2-yl)-3-[4-[(1Z)-buta-1,3-dienyl]-5-methyl-1H-imidazol-2-yl]thiourea
CID 18529381
tert-butyl N-ethyl-N-(3-methylbutyl)carbamate;prop-1-ene
CID 143879621
N-ethyl-N-(3-methylbutyl)-4-prop-1-en-2-ylpyridin-2-amine
CID 142855617
6-amino-1-butyl-5-[3-methylbutyl(prop-2-enyl)amino]pyrimidine-2,4-dione
CID 71943511
N,N-diethyl-4-(3-methylbutyl)-1,3-thiazol-2-amine
CID 59569175

Frequently Asked Questions

What is the IUPAC name of 4-[(1Z)-buta-1,3-dienyl]-N-ethyl-5-methyl-N-(3-methylbutyl)-1H-imidazol-2-amine?
The IUPAC name of 4-[(1Z)-buta-1,3-dienyl]-N-ethyl-5-methyl-N-(3-methylbutyl)-1H-imidazol-2-amine (CID 143189850) is 4-[(1Z)-buta-1,3-dienyl]-N-ethyl-5-methyl-N-(3-methylbutyl)-1H-imidazol-2-amine.
What is the SMILES notation for 4-[(1Z)-buta-1,3-dienyl]-N-ethyl-5-methyl-N-(3-methylbutyl)-1H-imidazol-2-amine?
The canonical SMILES for 4-[(1Z)-buta-1,3-dienyl]-N-ethyl-5-methyl-N-(3-methylbutyl)-1H-imidazol-2-amine is C=C/C=C\c1nc(N(CC)CCC(C)C)[nH]c1C.
What is the InChIKey of 4-[(1Z)-buta-1,3-dienyl]-N-ethyl-5-methyl-N-(3-methylbutyl)-1H-imidazol-2-amine?
The InChIKey is QIAMDLBSIMVFRO-HJWRWDBZSA-N. The full InChI is InChI=1S/C15H25N3/c1-6-8-9-14-13(5)16-15(17-14)18(7-2)11-10-12(3)4/h6,8-9,12H,1,7,10-11H2,2-5H3,(H,16,17)/b9-8-.
What are the key properties of 4-[(1Z)-buta-1,3-dienyl]-N-ethyl-5-methyl-N-(3-methylbutyl)-1H-imidazol-2-amine?
4-[(1Z)-buta-1,3-dienyl]-N-ethyl-5-methyl-N-(3-methylbutyl)-1H-imidazol-2-amine has a molecular weight of 247.39 g/mol, XLogP of 3.79, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1Z)-buta-1,3-dienyl]-N-ethyl-5-methyl-N-(3-methylbutyl)-1H-imidazol-2-amine is sourced from PubChem (CID 143189850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).