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

C11H21N3 — CID 102610018

IUPACN-(1H-imidazol-2-ylmethyl)-2,2,3-trimethylbutan-1-amine
SMILESCC(C)C(C)(C)CNCc1ncc[nH]1
InChIInChI=1S/C11H21N3/c1-9(2)11(3,4)8-12-7-10-13-5-6-14-10/h5-6,9,12H,7-8H2,1-4H3,(H,13,14)
InChIKeyXELZSBZDIDZKCS-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.18
Rot. Bonds5

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

N-(1H-imidazol-2-ylmethyl)-2,2,3-trimethylbutan-1-amine (PubChem CID 102610018) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is N-(1H-imidazol-2-ylmethyl)-2,2,3-trimethylbutan-1-amine.

Molecular Properties

Compound NameN-(1H-imidazol-2-ylmethyl)-2,2,3-trimethylbutan-1-amine
PubChem CID102610018
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC NameN-(1H-imidazol-2-ylmethyl)-2,2,3-trimethylbutan-1-amine
SMILESCC(C)C(C)(C)CNCc1ncc[nH]1
InChIInChI=1S/C11H21N3/c1-9(2)11(3,4)8-12-7-10-13-5-6-14-10/h5-6,9,12H,7-8H2,1-4H3,(H,13,14)
InChIKeyXELZSBZDIDZKCS-UHFFFAOYSA-N
XLogP2.18
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-diethyl-N-(1H-imidazol-2-ylmethyl)butan-1-amine
CID 115694922
N-(1H-imidazol-2-ylmethyl)-2-methylpropan-1-amine
CID 46784320
N-(1H-imidazol-2-ylmethyl)-3-methyl-2-propan-2-ylbutan-1-amine
CID 102904708
(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-(2,6-dichlorophenyl)-N-(1H-imidazol-2-ylmethyl)-2-methylpropan-1-amine
CID 119126147
N-(1H-imidazol-2-ylmethyl)-2-methoxy-3,3-dimethylbutan-1-amine
CID 115667035
N-(1H-imidazol-2-ylmethyl)-2-(4-methoxyphenyl)-2-methylpropan-1-amine
CID 119126131
2-(2-chlorophenyl)-N-(1H-imidazol-2-ylmethyl)-2-methylpropan-1-amine
CID 119126099
N-(1H-imidazol-2-ylmethyl)-2-methylpentan-1-amine
CID 64546852
2-N,2-N-diethyl-1-N-(1H-imidazol-2-ylmethyl)propane-1,2-diamine
CID 119111194
2-tert-butylsulfanyl-N-(1H-imidazol-2-ylmethyl)ethanamine
CID 115618886

Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-2-ylmethyl)-2,2,3-trimethylbutan-1-amine?
The IUPAC name of N-(1H-imidazol-2-ylmethyl)-2,2,3-trimethylbutan-1-amine (CID 102610018) is N-(1H-imidazol-2-ylmethyl)-2,2,3-trimethylbutan-1-amine.
What is the SMILES notation for N-(1H-imidazol-2-ylmethyl)-2,2,3-trimethylbutan-1-amine?
The canonical SMILES for N-(1H-imidazol-2-ylmethyl)-2,2,3-trimethylbutan-1-amine is CC(C)C(C)(C)CNCc1ncc[nH]1.
What is the InChIKey of N-(1H-imidazol-2-ylmethyl)-2,2,3-trimethylbutan-1-amine?
The InChIKey is XELZSBZDIDZKCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-9(2)11(3,4)8-12-7-10-13-5-6-14-10/h5-6,9,12H,7-8H2,1-4H3,(H,13,14).
What are the key properties of N-(1H-imidazol-2-ylmethyl)-2,2,3-trimethylbutan-1-amine?
N-(1H-imidazol-2-ylmethyl)-2,2,3-trimethylbutan-1-amine has a molecular weight of 195.31 g/mol, XLogP of 2.18, 5 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)-2,2,3-trimethylbutan-1-amine is sourced from PubChem (CID 102610018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).