N-(1H-imidazol-2-ylmethyl)-3-methyl-2-propan-2-ylbutan-1-amine

C12H23N3 — CID 102904708

IUPACN-(1H-imidazol-2-ylmethyl)-3-methyl-2-propan-2-ylbutan-1-amine
SMILESCC(C)C(CNCc1ncc[nH]1)C(C)C
InChIInChI=1S/C12H23N3/c1-9(2)11(10(3)4)7-13-8-12-14-5-6-15-12/h5-6,9-11,13H,7-8H2,1-4H3,(H,14,15)
InChIKeyCOYLDLAPJGNFFX-UHFFFAOYSA-N
MW209.34 g/mol
LogP2.43
Rot. Bonds6

About N-(1H-imidazol-2-ylmethyl)-3-methyl-2-propan-2-ylbutan-1-amine

N-(1H-imidazol-2-ylmethyl)-3-methyl-2-propan-2-ylbutan-1-amine (PubChem CID 102904708) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is N-(1H-imidazol-2-ylmethyl)-3-methyl-2-propan-2-ylbutan-1-amine.

Molecular Properties

Compound NameN-(1H-imidazol-2-ylmethyl)-3-methyl-2-propan-2-ylbutan-1-amine
PubChem CID102904708
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC NameN-(1H-imidazol-2-ylmethyl)-3-methyl-2-propan-2-ylbutan-1-amine
SMILESCC(C)C(CNCc1ncc[nH]1)C(C)C
InChIInChI=1S/C12H23N3/c1-9(2)11(10(3)4)7-13-8-12-14-5-6-15-12/h5-6,9-11,13H,7-8H2,1-4H3,(H,14,15)
InChIKeyCOYLDLAPJGNFFX-UHFFFAOYSA-N
XLogP2.43
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1H-imidazol-2-ylmethyl)-2-methylpropan-1-amine
CID 46784320
(2R)-1-(1H-imidazol-2-ylmethylamino)propan-2-ol
CID 92763391
N-(1H-imidazol-2-ylmethyl)-2-methylpropan-1-amine;methane;molecular hydrogen
CID 142079283
2-N,2-N-diethyl-1-N-(1H-imidazol-2-ylmethyl)propane-1,2-diamine
CID 119111194
N-(1H-imidazol-2-ylmethyl)-2-methylpentan-1-amine
CID 64546852
N-(1H-imidazol-2-ylmethyl)-2-methoxy-3,3-dimethylbutan-1-amine
CID 115667035
N-(1H-imidazol-2-ylmethyl)-2,2,3-trimethylbutan-1-amine
CID 102610018
N-(1H-imidazol-2-ylmethyl)-3-methyl-2-(4-methylpiperidin-1-yl)butan-1-amine
CID 119111188
1-[3,5-bis[(1H-imidazol-2-ylmethylamino)methyl]-2,4,6-trimethylphenyl]-N-(1H-imidazol-2-ylmethyl)methanamine
CID 72697709
2-(1H-imidazol-2-ylmethylamino)-1-(4-propan-2-yloxyphenyl)ethanol
CID 111422192
N-(1H-imidazol-2-ylmethyl)-2-methyl-3-phenylmethoxypropan-1-amine
CID 119111767
2-(1H-imidazol-2-ylmethylamino)-1-(2-methylphenyl)ethanol
CID 111118678

Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-2-ylmethyl)-3-methyl-2-propan-2-ylbutan-1-amine?
The IUPAC name of N-(1H-imidazol-2-ylmethyl)-3-methyl-2-propan-2-ylbutan-1-amine (CID 102904708) is N-(1H-imidazol-2-ylmethyl)-3-methyl-2-propan-2-ylbutan-1-amine.
What is the SMILES notation for N-(1H-imidazol-2-ylmethyl)-3-methyl-2-propan-2-ylbutan-1-amine?
The canonical SMILES for N-(1H-imidazol-2-ylmethyl)-3-methyl-2-propan-2-ylbutan-1-amine is CC(C)C(CNCc1ncc[nH]1)C(C)C.
What is the InChIKey of N-(1H-imidazol-2-ylmethyl)-3-methyl-2-propan-2-ylbutan-1-amine?
The InChIKey is COYLDLAPJGNFFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-9(2)11(10(3)4)7-13-8-12-14-5-6-15-12/h5-6,9-11,13H,7-8H2,1-4H3,(H,14,15).
What are the key properties of N-(1H-imidazol-2-ylmethyl)-3-methyl-2-propan-2-ylbutan-1-amine?
N-(1H-imidazol-2-ylmethyl)-3-methyl-2-propan-2-ylbutan-1-amine has a molecular weight of 209.34 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-2-ylmethyl)-3-methyl-2-propan-2-ylbutan-1-amine is sourced from PubChem (CID 102904708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).