N-(1H-imidazol-2-ylmethyl)-2-methoxy-3,3-dimethylbutan-1-amine

C11H21N3O — CID 115667035

IUPACN-(1H-imidazol-2-ylmethyl)-2-methoxy-3,3-dimethylbutan-1-amine
SMILESCOC(CNCc1ncc[nH]1)C(C)(C)C
InChIInChI=1S/C11H21N3O/c1-11(2,3)9(15-4)7-12-8-10-13-5-6-14-10/h5-6,9,12H,7-8H2,1-4H3,(H,13,14)
InChIKeyHGTIGETZGPGGAN-UHFFFAOYSA-N
MW211.31 g/mol
LogP1.56
Rot. Bonds5

About N-(1H-imidazol-2-ylmethyl)-2-methoxy-3,3-dimethylbutan-1-amine

N-(1H-imidazol-2-ylmethyl)-2-methoxy-3,3-dimethylbutan-1-amine (PubChem CID 115667035) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is N-(1H-imidazol-2-ylmethyl)-2-methoxy-3,3-dimethylbutan-1-amine.

Molecular Properties

Compound NameN-(1H-imidazol-2-ylmethyl)-2-methoxy-3,3-dimethylbutan-1-amine
PubChem CID115667035
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC NameN-(1H-imidazol-2-ylmethyl)-2-methoxy-3,3-dimethylbutan-1-amine
SMILESCOC(CNCc1ncc[nH]1)C(C)(C)C
InChIInChI=1S/C11H21N3O/c1-11(2,3)9(15-4)7-12-8-10-13-5-6-14-10/h5-6,9,12H,7-8H2,1-4H3,(H,13,14)
InChIKeyHGTIGETZGPGGAN-UHFFFAOYSA-N
XLogP1.56
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1H-imidazol-2-ylmethyl)-3-methyl-2-propan-2-ylbutan-1-amine
CID 102904708
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)-2,2,3-trimethylbutan-1-amine
CID 102610018
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)-4-methoxy-4-methylpentan-2-amine
CID 64531008
2-methoxy-3,3-dimethyl-N-(1H-pyrrol-3-ylmethyl)butan-1-amine
CID 115686359
2,2-diethyl-N-(1H-imidazol-2-ylmethyl)butan-1-amine
CID 115694922
N-(1H-imidazol-2-ylmethyl)-2-(4-methoxyphenyl)-2-methylpropan-1-amine
CID 119126131
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)-2-methoxy-3,3-dimethylbutan-1-amine?
The IUPAC name of N-(1H-imidazol-2-ylmethyl)-2-methoxy-3,3-dimethylbutan-1-amine (CID 115667035) is N-(1H-imidazol-2-ylmethyl)-2-methoxy-3,3-dimethylbutan-1-amine.
What is the SMILES notation for N-(1H-imidazol-2-ylmethyl)-2-methoxy-3,3-dimethylbutan-1-amine?
The canonical SMILES for N-(1H-imidazol-2-ylmethyl)-2-methoxy-3,3-dimethylbutan-1-amine is COC(CNCc1ncc[nH]1)C(C)(C)C.
What is the InChIKey of N-(1H-imidazol-2-ylmethyl)-2-methoxy-3,3-dimethylbutan-1-amine?
The InChIKey is HGTIGETZGPGGAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-11(2,3)9(15-4)7-12-8-10-13-5-6-14-10/h5-6,9,12H,7-8H2,1-4H3,(H,13,14).
What are the key properties of N-(1H-imidazol-2-ylmethyl)-2-methoxy-3,3-dimethylbutan-1-amine?
N-(1H-imidazol-2-ylmethyl)-2-methoxy-3,3-dimethylbutan-1-amine has a molecular weight of 211.31 g/mol, XLogP of 1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-2-ylmethyl)-2-methoxy-3,3-dimethylbutan-1-amine is sourced from PubChem (CID 115667035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).