N-methyl-1-[3-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]pyrrolidin-3-yl]methanamine

C13H24N4 — CID 106318634

IUPACN-methyl-1-[3-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]pyrrolidin-3-yl]methanamine
SMILESCNCC1(C)CCN(CCn2ccnc2C)C1
InChIInChI=1S/C13H24N4/c1-12-15-5-7-17(12)9-8-16-6-4-13(2,11-16)10-14-3/h5,7,14H,4,6,8-11H2,1-3H3
InChIKeyAUJXXJZNXWIHKI-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.12
Rot. Bonds5

About N-methyl-1-[3-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]pyrrolidin-3-yl]methanamine

N-methyl-1-[3-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]pyrrolidin-3-yl]methanamine (PubChem CID 106318634) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is N-methyl-1-[3-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[3-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]pyrrolidin-3-yl]methanamine
PubChem CID106318634
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC NameN-methyl-1-[3-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]pyrrolidin-3-yl]methanamine
SMILESCNCC1(C)CCN(CCn2ccnc2C)C1
InChIInChI=1S/C13H24N4/c1-12-15-5-7-17(12)9-8-16-6-4-13(2,11-16)10-14-3/h5,7,14H,4,6,8-11H2,1-3H3
InChIKeyAUJXXJZNXWIHKI-UHFFFAOYSA-N
XLogP1.12
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]piperidin-3-ol
CID 115874156
4-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]azepan-4-ol
CID 107408049
N-[(1-methylcyclopentyl)methyl]-2-(2-methylimidazol-1-yl)ethanamine
CID 63821869
1-[2-(2-methylimidazol-1-yl)ethyl]piperidine
CID 61225679
N-methyl-1-[3-methyl-1-(2-phenylethyl)pyrrolidin-3-yl]methanamine
CID 106318668
N-methyl-1-[3-methyl-1-(3-methylbutyl)pyrrolidin-3-yl]methanamine
CID 106318615
N-methyl-1-[3-methyl-1-(3-phenoxypropyl)pyrrolidin-3-yl]methanamine
CID 106318811
1-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]ethanone
CID 90533655
N-methyl-1-[3-methyl-1-(2-thiophen-3-ylethyl)pyrrolidin-3-yl]methanamine
CID 106318742
N-[(1-ethylcyclopentyl)methyl]-2-(2-methylimidazol-1-yl)ethanamine
CID 114125143
N-methyl-1-[3-methyl-1-(3-methylsulfonylpropyl)pyrrolidin-3-yl]methanamine
CID 106318641
6-(bromomethyl)-2,2-dimethyl-4-[2-(2-methylimidazol-1-yl)ethyl]morpholine
CID 114780779

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]pyrrolidin-3-yl]methanamine?
The IUPAC name of N-methyl-1-[3-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]pyrrolidin-3-yl]methanamine (CID 106318634) is N-methyl-1-[3-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]pyrrolidin-3-yl]methanamine.
What is the SMILES notation for N-methyl-1-[3-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]pyrrolidin-3-yl]methanamine?
The canonical SMILES for N-methyl-1-[3-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]pyrrolidin-3-yl]methanamine is CNCC1(C)CCN(CCn2ccnc2C)C1.
What is the InChIKey of N-methyl-1-[3-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]pyrrolidin-3-yl]methanamine?
The InChIKey is AUJXXJZNXWIHKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-12-15-5-7-17(12)9-8-16-6-4-13(2,11-16)10-14-3/h5,7,14H,4,6,8-11H2,1-3H3.
What are the key properties of N-methyl-1-[3-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]pyrrolidin-3-yl]methanamine?
N-methyl-1-[3-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]pyrrolidin-3-yl]methanamine has a molecular weight of 236.36 g/mol, XLogP of 1.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 106318634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).