N-butyl-1-[1-(2,5-dimethylthiophen-3-yl)ethyl]imidazol-2-amine

C15H23N3S — CID 106565398

IUPACN-butyl-1-[1-(2,5-dimethylthiophen-3-yl)ethyl]imidazol-2-amine
SMILESCCCCNc1nccn1C(C)c1cc(C)sc1C
InChIInChI=1S/C15H23N3S/c1-5-6-7-16-15-17-8-9-18(15)12(3)14-10-11(2)19-13(14)4/h8-10,12H,5-7H2,1-4H3,(H,16,17)
InChIKeyQKIJOABTUNBHOU-UHFFFAOYSA-N
MW277.44 g/mol
LogP4.38
Rot. Bonds6

About N-butyl-1-[1-(2,5-dimethylthiophen-3-yl)ethyl]imidazol-2-amine

N-butyl-1-[1-(2,5-dimethylthiophen-3-yl)ethyl]imidazol-2-amine (PubChem CID 106565398) has the molecular formula C15H23N3S and a molecular weight of 277.44 g/mol. Its IUPAC name is N-butyl-1-[1-(2,5-dimethylthiophen-3-yl)ethyl]imidazol-2-amine.

Molecular Properties

Compound NameN-butyl-1-[1-(2,5-dimethylthiophen-3-yl)ethyl]imidazol-2-amine
PubChem CID106565398
Molecular FormulaC15H23N3S
Molecular Weight277.44 g/mol
Exact Mass277.16
IUPAC NameN-butyl-1-[1-(2,5-dimethylthiophen-3-yl)ethyl]imidazol-2-amine
SMILESCCCCNc1nccn1C(C)c1cc(C)sc1C
InChIInChI=1S/C15H23N3S/c1-5-6-7-16-15-17-8-9-18(15)12(3)14-10-11(2)19-13(14)4/h8-10,12H,5-7H2,1-4H3,(H,16,17)
InChIKeyQKIJOABTUNBHOU-UHFFFAOYSA-N
XLogP4.38
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.44
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-N-methylimidazol-2-amine
CID 106565395
1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-N-prop-2-enylimidazol-2-amine
CID 106565426
N-butyl-1-[1-(2-methylphenyl)ethyl]imidazol-2-amine
CID 106567411
N-butyl-1-(1-methylsulfanylpropan-2-yl)imidazol-2-amine
CID 106581318
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]propan-1-amine
CID 43200455
N-(2-butoxyethyl)-1-propan-2-ylimidazol-2-amine
CID 106568337
N-(3-ethoxypropyl)-1-propan-2-ylimidazol-2-amine
CID 106554823
1-[1-(2-chlorophenyl)ethyl]-N-(3-methoxypropyl)imidazol-2-amine
CID 106566922
N-(3-methylsulfanylpropyl)-1-propan-2-ylimidazol-2-amine
CID 106573657
1-(1-methylsulfanylpropan-2-yl)-N-propylimidazol-2-amine
CID 106581355
3-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1H-imidazol-2-one
CID 103125362
(1R)-1-[3-[1-(2,5-dimethylthiophen-3-yl)ethyl]imidazol-4-yl]propan-1-amine
CID 104942416

Frequently Asked Questions

What is the IUPAC name of N-butyl-1-[1-(2,5-dimethylthiophen-3-yl)ethyl]imidazol-2-amine?
The IUPAC name of N-butyl-1-[1-(2,5-dimethylthiophen-3-yl)ethyl]imidazol-2-amine (CID 106565398) is N-butyl-1-[1-(2,5-dimethylthiophen-3-yl)ethyl]imidazol-2-amine.
What is the SMILES notation for N-butyl-1-[1-(2,5-dimethylthiophen-3-yl)ethyl]imidazol-2-amine?
The canonical SMILES for N-butyl-1-[1-(2,5-dimethylthiophen-3-yl)ethyl]imidazol-2-amine is CCCCNc1nccn1C(C)c1cc(C)sc1C.
What is the InChIKey of N-butyl-1-[1-(2,5-dimethylthiophen-3-yl)ethyl]imidazol-2-amine?
The InChIKey is QKIJOABTUNBHOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3S/c1-5-6-7-16-15-17-8-9-18(15)12(3)14-10-11(2)19-13(14)4/h8-10,12H,5-7H2,1-4H3,(H,16,17).
What are the key properties of N-butyl-1-[1-(2,5-dimethylthiophen-3-yl)ethyl]imidazol-2-amine?
N-butyl-1-[1-(2,5-dimethylthiophen-3-yl)ethyl]imidazol-2-amine has a molecular weight of 277.44 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-[1-(2,5-dimethylthiophen-3-yl)ethyl]imidazol-2-amine is sourced from PubChem (CID 106565398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).