N-methyl-2-(methylaminomethyl)-N-[(1-methylimidazol-2-yl)methyl]cyclobutan-1-amine

C12H22N4 — CID 80998325

IUPACN-methyl-2-(methylaminomethyl)-N-[(1-methylimidazol-2-yl)methyl]cyclobutan-1-amine
SMILESCNCC1CCC1N(C)Cc1nccn1C
InChIInChI=1S/C12H22N4/c1-13-8-10-4-5-11(10)16(3)9-12-14-6-7-15(12)2/h6-7,10-11,13H,4-5,8-9H2,1-3H3
InChIKeyUKTYINAFZSYHLL-UHFFFAOYSA-N
MW222.34 g/mol
LogP0.85
Rot. Bonds5

About N-methyl-2-(methylaminomethyl)-N-[(1-methylimidazol-2-yl)methyl]cyclobutan-1-amine

N-methyl-2-(methylaminomethyl)-N-[(1-methylimidazol-2-yl)methyl]cyclobutan-1-amine (PubChem CID 80998325) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is N-methyl-2-(methylaminomethyl)-N-[(1-methylimidazol-2-yl)methyl]cyclobutan-1-amine.

Molecular Properties

Compound NameN-methyl-2-(methylaminomethyl)-N-[(1-methylimidazol-2-yl)methyl]cyclobutan-1-amine
PubChem CID80998325
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC NameN-methyl-2-(methylaminomethyl)-N-[(1-methylimidazol-2-yl)methyl]cyclobutan-1-amine
SMILESCNCC1CCC1N(C)Cc1nccn1C
InChIInChI=1S/C12H22N4/c1-13-8-10-4-5-11(10)16(3)9-12-14-6-7-15(12)2/h6-7,10-11,13H,4-5,8-9H2,1-3H3
InChIKeyUKTYINAFZSYHLL-UHFFFAOYSA-N
XLogP0.85
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-methyl-2-(methylaminomethyl)-N-[(1-methylimidazol-2-yl)methyl]cyclobutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-(propylaminomethyl)cyclobutan-1-amine
CID 80998324
2-(aminomethyl)-N,5-dimethyl-N-[(1-methylimidazol-2-yl)methyl]cyclohexan-1-amine
CID 63013726
2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]cycloheptan-1-ol
CID 63026805
2-N-ethyl-1-N-methyl-1-N-[(1-methylimidazol-2-yl)methyl]cycloheptane-1,2-diamine
CID 63013410
N-methyl-2-(methylaminomethyl)-N-(1,3-thiazol-4-ylmethyl)cyclobutan-1-amine
CID 80999518
N,4-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-amine
CID 81458667
1-N,3,3-trimethyl-1-N-[(1-methylimidazol-2-yl)methyl]cyclopentane-1,2-diamine
CID 79859996
N-benzyl-N-methyl-2-(methylaminomethyl)cyclobutan-1-amine
CID 80998660
2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]cycloheptane-1-carboxylic acid
CID 55179736
4-cyclopropyl-N-methyl-5-(methylaminomethyl)-N-[(1-methylimidazol-2-yl)methyl]-1,3-thiazol-2-amine
CID 63915656
3-N-ethyl-1-N-methyl-1-N-[(1-methylimidazol-2-yl)methyl]cyclohexane-1,3-diamine
CID 79618941
3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]cyclopentan-1-one
CID 79643169

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(methylaminomethyl)-N-[(1-methylimidazol-2-yl)methyl]cyclobutan-1-amine?
The IUPAC name of N-methyl-2-(methylaminomethyl)-N-[(1-methylimidazol-2-yl)methyl]cyclobutan-1-amine (CID 80998325) is N-methyl-2-(methylaminomethyl)-N-[(1-methylimidazol-2-yl)methyl]cyclobutan-1-amine.
What is the SMILES notation for N-methyl-2-(methylaminomethyl)-N-[(1-methylimidazol-2-yl)methyl]cyclobutan-1-amine?
The canonical SMILES for N-methyl-2-(methylaminomethyl)-N-[(1-methylimidazol-2-yl)methyl]cyclobutan-1-amine is CNCC1CCC1N(C)Cc1nccn1C.
What is the InChIKey of N-methyl-2-(methylaminomethyl)-N-[(1-methylimidazol-2-yl)methyl]cyclobutan-1-amine?
The InChIKey is UKTYINAFZSYHLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-13-8-10-4-5-11(10)16(3)9-12-14-6-7-15(12)2/h6-7,10-11,13H,4-5,8-9H2,1-3H3.
What are the key properties of N-methyl-2-(methylaminomethyl)-N-[(1-methylimidazol-2-yl)methyl]cyclobutan-1-amine?
N-methyl-2-(methylaminomethyl)-N-[(1-methylimidazol-2-yl)methyl]cyclobutan-1-amine has a molecular weight of 222.34 g/mol, XLogP of 0.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(methylaminomethyl)-N-[(1-methylimidazol-2-yl)methyl]cyclobutan-1-amine is sourced from PubChem (CID 80998325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).