2-propan-2-yl-5-(3-propan-2-ylimidazol-4-yl)-3-prop-2-enylimidazol-4-amine

C15H23N5 — CID 66130315

IUPAC2-propan-2-yl-5-(3-propan-2-ylimidazol-4-yl)-3-prop-2-enylimidazol-4-amine
SMILESC=CCn1c(C(C)C)nc(-c2cncn2C(C)C)c1N
InChIInChI=1S/C15H23N5/c1-6-7-19-14(16)13(18-15(19)10(2)3)12-8-17-9-20(12)11(4)5/h6,8-11H,1,7,16H2,2-5H3
InChIKeyORWSRQDYHVWYEY-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.22
Rot. Bonds5

About 2-propan-2-yl-5-(3-propan-2-ylimidazol-4-yl)-3-prop-2-enylimidazol-4-amine

2-propan-2-yl-5-(3-propan-2-ylimidazol-4-yl)-3-prop-2-enylimidazol-4-amine (PubChem CID 66130315) has the molecular formula C15H23N5 and a molecular weight of 273.38 g/mol. Its IUPAC name is 2-propan-2-yl-5-(3-propan-2-ylimidazol-4-yl)-3-prop-2-enylimidazol-4-amine.

Molecular Properties

Compound Name2-propan-2-yl-5-(3-propan-2-ylimidazol-4-yl)-3-prop-2-enylimidazol-4-amine
PubChem CID66130315
Molecular FormulaC15H23N5
Molecular Weight273.38 g/mol
Exact Mass273.20
IUPAC Name2-propan-2-yl-5-(3-propan-2-ylimidazol-4-yl)-3-prop-2-enylimidazol-4-amine
SMILESC=CCn1c(C(C)C)nc(-c2cncn2C(C)C)c1N
InChIInChI=1S/C15H23N5/c1-6-7-19-14(16)13(18-15(19)10(2)3)12-8-17-9-20(12)11(4)5/h6,8-11H,1,7,16H2,2-5H3
InChIKeyORWSRQDYHVWYEY-UHFFFAOYSA-N
XLogP3.22
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(1,3-dimethylimidazol-1-ium-4-yl)ethyl]-3,7-dimethyl-2-methyliminopurin-6-amine
CID 177642733
6-[2-(1,3-Dimethylimidazol-1-ium-4-yl)ethylimino]-3,7-dimethylpurin-2-amine
CID 177644514
N-[2-(1,3-dimethylimidazol-1-ium-4-yl)ethyl]-N,3,7-trimethyl-2-methyliminopurin-6-amine
CID 177645952
2-(1-methyl-1H-imidazol-4-yl)-2-(pyrrolidin-1-yl)ethan-1-amine
CID 84739674
4,4'-Bisimidazole, 2,2'-difluoro-1,1'-dimethyl-
CID 607734
6-(2,3-dimethylimidazol-4-yl)-N-[(3R,4S)-4-fluoropyrrolidin-3-yl]pyrazin-2-amine
CID 58303266
6-(2,3-dimethylimidazol-4-yl)-N-[(3S,4S)-4-fluoropyrrolidin-3-yl]pyrazin-2-amine
CID 58303288
6-(2,3-dimethylimidazol-4-yl)-N-(4-fluoropyrrolidin-3-yl)pyrazin-2-amine
CID 76753399
2-methyl-5-(2-methyl-1H-imidazol-5-yl)-1H-imidazole
CID 11030144
2-ethyl-5-(2-ethyl-1H-imidazol-5-yl)-1H-imidazole
CID 86083948
3,3'-dimethyl-3H,3'H-4,4'-biimidazole
CID 138115344
2-butyl-5-methyl-4-pyrrol-1-yl-1H-imidazole
CID 19106903

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-5-(3-propan-2-ylimidazol-4-yl)-3-prop-2-enylimidazol-4-amine?
The IUPAC name of 2-propan-2-yl-5-(3-propan-2-ylimidazol-4-yl)-3-prop-2-enylimidazol-4-amine (CID 66130315) is 2-propan-2-yl-5-(3-propan-2-ylimidazol-4-yl)-3-prop-2-enylimidazol-4-amine.
What is the SMILES notation for 2-propan-2-yl-5-(3-propan-2-ylimidazol-4-yl)-3-prop-2-enylimidazol-4-amine?
The canonical SMILES for 2-propan-2-yl-5-(3-propan-2-ylimidazol-4-yl)-3-prop-2-enylimidazol-4-amine is C=CCn1c(C(C)C)nc(-c2cncn2C(C)C)c1N.
What is the InChIKey of 2-propan-2-yl-5-(3-propan-2-ylimidazol-4-yl)-3-prop-2-enylimidazol-4-amine?
The InChIKey is ORWSRQDYHVWYEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5/c1-6-7-19-14(16)13(18-15(19)10(2)3)12-8-17-9-20(12)11(4)5/h6,8-11H,1,7,16H2,2-5H3.
What are the key properties of 2-propan-2-yl-5-(3-propan-2-ylimidazol-4-yl)-3-prop-2-enylimidazol-4-amine?
2-propan-2-yl-5-(3-propan-2-ylimidazol-4-yl)-3-prop-2-enylimidazol-4-amine has a molecular weight of 273.38 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-5-(3-propan-2-ylimidazol-4-yl)-3-prop-2-enylimidazol-4-amine is sourced from PubChem (CID 66130315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).