N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-3-methylcyclobutan-1-amine

C14H25N3 — CID 104859696

IUPACN-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-3-methylcyclobutan-1-amine
SMILESCC1CC(NC(Cn2ccnc2)C(C)(C)C)C1
InChIInChI=1S/C14H25N3/c1-11-7-12(8-11)16-13(14(2,3)4)9-17-6-5-15-10-17/h5-6,10-13,16H,7-9H2,1-4H3
InChIKeyVAJGKUDZIFVWBC-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.69
Rot. Bonds4

About N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-3-methylcyclobutan-1-amine

N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-3-methylcyclobutan-1-amine (PubChem CID 104859696) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-3-methylcyclobutan-1-amine.

Molecular Properties

Compound NameN-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-3-methylcyclobutan-1-amine
PubChem CID104859696
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC NameN-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-3-methylcyclobutan-1-amine
SMILESCC1CC(NC(Cn2ccnc2)C(C)(C)C)C1
InChIInChI=1S/C14H25N3/c1-11-7-12(8-11)16-13(14(2,3)4)9-17-6-5-15-10-17/h5-6,10-13,16H,7-9H2,1-4H3
InChIKeyVAJGKUDZIFVWBC-UHFFFAOYSA-N
XLogP2.69
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-imidazol-1-ylpropan-2-yl)-3-methylcyclobutan-1-amine
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N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-4-propylcyclohexan-1-amine
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N-[(2S)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]-2,3-dihydro-1H-inden-2-amine
CID 93276734
N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-2-methylcyclohexan-1-amine
CID 43749491
N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-2-methyloxolan-3-amine
CID 113289616
N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-1,2,5-trimethylpiperidin-4-amine
CID 43749574
N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-2-methylsulfonylcyclopentan-1-amine
CID 65044347
1-imidazol-1-yl-3,3-dimethyl-N-propylbutan-2-amine
CID 43749580
N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 82853293
1-imidazol-1-yl-3,3-dimethyl-N-(3-methylpentan-2-yl)butan-2-amine
CID 43749439
N'-tert-butyl-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)ethane-1,2-diamine
CID 107445275
2-(cyclopentylamino)-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)acetamide
CID 60846927

Frequently Asked Questions

What is the IUPAC name of N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-3-methylcyclobutan-1-amine?
The IUPAC name of N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-3-methylcyclobutan-1-amine (CID 104859696) is N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-3-methylcyclobutan-1-amine.
What is the SMILES notation for N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-3-methylcyclobutan-1-amine?
The canonical SMILES for N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-3-methylcyclobutan-1-amine is CC1CC(NC(Cn2ccnc2)C(C)(C)C)C1.
What is the InChIKey of N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-3-methylcyclobutan-1-amine?
The InChIKey is VAJGKUDZIFVWBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-11-7-12(8-11)16-13(14(2,3)4)9-17-6-5-15-10-17/h5-6,10-13,16H,7-9H2,1-4H3.
What are the key properties of N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-3-methylcyclobutan-1-amine?
N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-3-methylcyclobutan-1-amine has a molecular weight of 235.37 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-3-methylcyclobutan-1-amine is sourced from PubChem (CID 104859696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).