N-(1H-imidazol-5-ylmethyl)-4-methoxy-2,2-dimethylbutan-1-amine

C11H21N3O — CID 104625163

IUPACN-(1H-imidazol-5-ylmethyl)-4-methoxy-2,2-dimethylbutan-1-amine
SMILESCOCCC(C)(C)CNCc1cnc[nH]1
InChIInChI=1S/C11H21N3O/c1-11(2,4-5-15-3)8-12-6-10-7-13-9-14-10/h7,9,12H,4-6,8H2,1-3H3,(H,13,14)
InChIKeyWDIFVJWTZFTVQC-UHFFFAOYSA-N
MW211.31 g/mol
LogP1.56
Rot. Bonds7

About N-(1H-imidazol-5-ylmethyl)-4-methoxy-2,2-dimethylbutan-1-amine

N-(1H-imidazol-5-ylmethyl)-4-methoxy-2,2-dimethylbutan-1-amine (PubChem CID 104625163) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is N-(1H-imidazol-5-ylmethyl)-4-methoxy-2,2-dimethylbutan-1-amine.

Molecular Properties

Compound NameN-(1H-imidazol-5-ylmethyl)-4-methoxy-2,2-dimethylbutan-1-amine
PubChem CID104625163
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC NameN-(1H-imidazol-5-ylmethyl)-4-methoxy-2,2-dimethylbutan-1-amine
SMILESCOCCC(C)(C)CNCc1cnc[nH]1
InChIInChI=1S/C11H21N3O/c1-11(2,4-5-15-3)8-12-6-10-7-13-9-14-10/h7,9,12H,4-6,8H2,1-3H3,(H,13,14)
InChIKeyWDIFVJWTZFTVQC-UHFFFAOYSA-N
XLogP1.56
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
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

5-(1H-imidazol-5-ylmethylamino)-4,4-dimethylpentan-1-ol
CID 103897627
N-(1H-imidazol-5-ylmethyl)-4-methoxybutan-1-amine
CID 62762848
N-(1H-imidazol-5-ylmethyl)-5-methoxypentan-1-amine;hydrochloride
CID 115607731
N-(1H-imidazol-5-ylmethyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 62844313
N-(1H-imidazol-5-ylmethyl)-N'-(2-methoxyethyl)-N'-methylpropane-1,3-diamine;hydrochloride
CID 115607154
N-[(5-bromo-3-pyridinyl)methyl]-4-methoxy-2,2-dimethylbutan-1-amine
CID 104857055
N-(1H-imidazol-5-ylmethyl)-2-methyl-2-(4-methylpiperazin-1-yl)propan-1-amine
CID 55109545
N-(1H-imidazol-5-ylmethyl)prop-2-yn-1-amine
CID 62762970
1-(1H-imidazol-5-yl)-N-methylmethanamine
CID 20675588
methyl 2-(1H-imidazol-5-ylmethylamino)-2-methylpropanoate
CID 62761936
N-[(2,6-dimethylphenyl)methyl]-4-methoxy-2,2-dimethylbutan-1-amine
CID 104625041
N-[2-(1H-imidazol-5-ylmethylamino)ethyl]-2,2-dimethylpropanamide
CID 115615526

Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-5-ylmethyl)-4-methoxy-2,2-dimethylbutan-1-amine?
The IUPAC name of N-(1H-imidazol-5-ylmethyl)-4-methoxy-2,2-dimethylbutan-1-amine (CID 104625163) is N-(1H-imidazol-5-ylmethyl)-4-methoxy-2,2-dimethylbutan-1-amine.
What is the SMILES notation for N-(1H-imidazol-5-ylmethyl)-4-methoxy-2,2-dimethylbutan-1-amine?
The canonical SMILES for N-(1H-imidazol-5-ylmethyl)-4-methoxy-2,2-dimethylbutan-1-amine is COCCC(C)(C)CNCc1cnc[nH]1.
What is the InChIKey of N-(1H-imidazol-5-ylmethyl)-4-methoxy-2,2-dimethylbutan-1-amine?
The InChIKey is WDIFVJWTZFTVQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-11(2,4-5-15-3)8-12-6-10-7-13-9-14-10/h7,9,12H,4-6,8H2,1-3H3,(H,13,14).
What are the key properties of N-(1H-imidazol-5-ylmethyl)-4-methoxy-2,2-dimethylbutan-1-amine?
N-(1H-imidazol-5-ylmethyl)-4-methoxy-2,2-dimethylbutan-1-amine has a molecular weight of 211.31 g/mol, XLogP of 1.56, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-5-ylmethyl)-4-methoxy-2,2-dimethylbutan-1-amine is sourced from PubChem (CID 104625163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).