(4-tert-butyl-5-propan-2-yl-1H-imidazol-2-yl)methanamine

C11H21N3 — CID 105449546

IUPAC(4-tert-butyl-5-propan-2-yl-1H-imidazol-2-yl)methanamine
SMILESCC(C)c1[nH]c(CN)nc1C(C)(C)C
InChIInChI=1S/C11H21N3/c1-7(2)9-10(11(3,4)5)14-8(6-12)13-9/h7H,6,12H2,1-5H3,(H,13,14)
InChIKeyZUUYOOABYWGSKG-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.29
Rot. Bonds2

About (4-tert-butyl-5-propan-2-yl-1H-imidazol-2-yl)methanamine

(4-tert-butyl-5-propan-2-yl-1H-imidazol-2-yl)methanamine (PubChem CID 105449546) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is (4-tert-butyl-5-propan-2-yl-1H-imidazol-2-yl)methanamine.

Molecular Properties

Compound Name(4-tert-butyl-5-propan-2-yl-1H-imidazol-2-yl)methanamine
PubChem CID105449546
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name(4-tert-butyl-5-propan-2-yl-1H-imidazol-2-yl)methanamine
SMILESCC(C)c1[nH]c(CN)nc1C(C)(C)C
InChIInChI=1S/C11H21N3/c1-7(2)9-10(11(3,4)5)14-8(6-12)13-9/h7H,6,12H2,1-5H3,(H,13,14)
InChIKeyZUUYOOABYWGSKG-UHFFFAOYSA-N
XLogP2.29
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[4,5-di(propan-2-yl)-1H-imidazol-2-yl]methanamine
CID 105439692
2-butan-2-yl-4-tert-butyl-5-propan-2-yl-1H-imidazole
CID 66723348
(4-tert-butyl-2-methyl-1H-imidazol-5-yl)methanamine
CID 82373832
4-tert-butyl-5-propan-2-yl-1H-imidazole
CID 59706661
(5-tert-butyl-1H-imidazol-2-yl)methanamine
CID 43649269
3-tert-butyl-4-methyl-5-propan-2-yl-1H-pyrazole
CID 162784355
2-(aminomethyl)-6-propan-2-yl-1H-1,3,5-triazine-4-thione;aziridine
CID 174265337
4-tert-butyl-5-(3-methylbutan-2-yl)-2-pentan-2-yl-1H-imidazole
CID 66723006
(4-tert-butyl-2-cyclopropyl-1H-imidazol-5-yl)methanamine
CID 82373833
2-(4-tert-butyl-2-propan-2-yl-1,3-thiazol-5-yl)ethanamine
CID 82069481
4-(2-methylhexan-2-yl)-2-(3-methylpentan-3-yl)-5-propan-2-yl-1H-imidazole
CID 66723308
1-[4-(1,1-difluoroethyl)-5-methyl-1H-imidazol-2-yl]propan-2-amine
CID 84777157

Frequently Asked Questions

What is the IUPAC name of (4-tert-butyl-5-propan-2-yl-1H-imidazol-2-yl)methanamine?
The IUPAC name of (4-tert-butyl-5-propan-2-yl-1H-imidazol-2-yl)methanamine (CID 105449546) is (4-tert-butyl-5-propan-2-yl-1H-imidazol-2-yl)methanamine.
What is the SMILES notation for (4-tert-butyl-5-propan-2-yl-1H-imidazol-2-yl)methanamine?
The canonical SMILES for (4-tert-butyl-5-propan-2-yl-1H-imidazol-2-yl)methanamine is CC(C)c1[nH]c(CN)nc1C(C)(C)C.
What is the InChIKey of (4-tert-butyl-5-propan-2-yl-1H-imidazol-2-yl)methanamine?
The InChIKey is ZUUYOOABYWGSKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-7(2)9-10(11(3,4)5)14-8(6-12)13-9/h7H,6,12H2,1-5H3,(H,13,14).
What are the key properties of (4-tert-butyl-5-propan-2-yl-1H-imidazol-2-yl)methanamine?
(4-tert-butyl-5-propan-2-yl-1H-imidazol-2-yl)methanamine has a molecular weight of 195.31 g/mol, XLogP of 2.29, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butyl-5-propan-2-yl-1H-imidazol-2-yl)methanamine is sourced from PubChem (CID 105449546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).