1-[3-(2,2-dimethylbutyl)imidazol-4-yl]-N-methylmethanamine

C11H21N3 — CID 103466374

IUPAC1-[3-(2,2-dimethylbutyl)imidazol-4-yl]-N-methylmethanamine
SMILESCCC(C)(C)Cn1cncc1CNC
InChIInChI=1S/C11H21N3/c1-5-11(2,3)8-14-9-13-7-10(14)6-12-4/h7,9,12H,5-6,8H2,1-4H3
InChIKeyWCMWKZIDRUYEPR-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.04
Rot. Bonds5

About 1-[3-(2,2-dimethylbutyl)imidazol-4-yl]-N-methylmethanamine

1-[3-(2,2-dimethylbutyl)imidazol-4-yl]-N-methylmethanamine (PubChem CID 103466374) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is 1-[3-(2,2-dimethylbutyl)imidazol-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-(2,2-dimethylbutyl)imidazol-4-yl]-N-methylmethanamine
PubChem CID103466374
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name1-[3-(2,2-dimethylbutyl)imidazol-4-yl]-N-methylmethanamine
SMILESCCC(C)(C)Cn1cncc1CNC
InChIInChI=1S/C11H21N3/c1-5-11(2,3)8-14-9-13-7-10(14)6-12-4/h7,9,12H,5-6,8H2,1-4H3
InChIKeyWCMWKZIDRUYEPR-UHFFFAOYSA-N
XLogP2.04
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-(2,2-dimethylbutyl)imidazol-4-yl]methyl]ethanamine
CID 103466378
N-methyl-1-[3-(2,3,3-trimethylbutyl)imidazol-4-yl]methanamine
CID 83146515
N-ethyl-N-methyl-2-[5-(methylaminomethyl)imidazol-1-yl]ethanamine
CID 66149923
1-[3-[(4-ethylcyclohexyl)methyl]imidazol-4-yl]-N-methylmethanamine
CID 66149073
N-[[3-(2-methoxy-2-methylpropyl)imidazol-4-yl]methyl]ethanamine
CID 104766869
N-[(3-ethylimidazol-4-yl)methyl]-2,4,4-trimethylpentan-2-amine
CID 66135456
N-[(3-butylimidazol-4-yl)methyl]-2-methylpropan-2-amine
CID 66146275
N-methyl-1-[3-[(4-methyl-3-pyridinyl)methyl]imidazol-4-yl]methanamine
CID 114957819
N-methyl-1-[3-(pyridin-2-ylmethyl)imidazol-4-yl]methanamine
CID 66147540
2-[5-(methylaminomethyl)imidazol-1-yl]-N-propan-2-ylacetamide
CID 66146321
N-methyl-1-[3-(thiophen-3-ylmethyl)imidazol-4-yl]methanamine
CID 66150778
N-methyl-1-[3-[2-(1-methylimidazol-2-yl)ethyl]imidazol-4-yl]methanamine
CID 66151369

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,2-dimethylbutyl)imidazol-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[3-(2,2-dimethylbutyl)imidazol-4-yl]-N-methylmethanamine (CID 103466374) is 1-[3-(2,2-dimethylbutyl)imidazol-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-(2,2-dimethylbutyl)imidazol-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[3-(2,2-dimethylbutyl)imidazol-4-yl]-N-methylmethanamine is CCC(C)(C)Cn1cncc1CNC.
What is the InChIKey of 1-[3-(2,2-dimethylbutyl)imidazol-4-yl]-N-methylmethanamine?
The InChIKey is WCMWKZIDRUYEPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-5-11(2,3)8-14-9-13-7-10(14)6-12-4/h7,9,12H,5-6,8H2,1-4H3.
What are the key properties of 1-[3-(2,2-dimethylbutyl)imidazol-4-yl]-N-methylmethanamine?
1-[3-(2,2-dimethylbutyl)imidazol-4-yl]-N-methylmethanamine has a molecular weight of 195.31 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,2-dimethylbutyl)imidazol-4-yl]-N-methylmethanamine is sourced from PubChem (CID 103466374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).