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

C12H22N4 — CID 102775975

IUPACN-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-(3-methylpyrrolidin-2-yl)methanamine
SMILESCC1CCNC1CN(C)Cc1nccn1C
InChIInChI=1S/C12H22N4/c1-10-4-5-13-11(10)8-15(2)9-12-14-6-7-16(12)3/h6-7,10-11,13H,4-5,8-9H2,1-3H3
InChIKeyYNTPAHGMHBUMLI-UHFFFAOYSA-N
MW222.34 g/mol
LogP0.85
Rot. Bonds4

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

N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-(3-methylpyrrolidin-2-yl)methanamine (PubChem CID 102775975) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-(3-methylpyrrolidin-2-yl)methanamine.

Molecular Properties

Compound NameN-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-(3-methylpyrrolidin-2-yl)methanamine
PubChem CID102775975
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC NameN-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-(3-methylpyrrolidin-2-yl)methanamine
SMILESCC1CCNC1CN(C)Cc1nccn1C
InChIInChI=1S/C12H22N4/c1-10-4-5-13-11(10)8-15(2)9-12-14-6-7-16(12)3/h6-7,10-11,13H,4-5,8-9H2,1-3H3
InChIKeyYNTPAHGMHBUMLI-UHFFFAOYSA-N
XLogP0.85
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
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

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Related Compounds

N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-[(2R)-pyrrolidin-2-yl]methanamine
CID 94939254
N-methyl-1-(3-methylpyrrolidin-2-yl)-N-(pyridin-4-ylmethyl)methanamine
CID 102775633
N,N-dimethyl-1-(3-methylpyrrolidin-2-yl)methanamine
CID 103846085
N-methyl-2-(1-methylimidazol-2-yl)-N-(piperidin-2-ylmethyl)ethanamine
CID 106635225
N,4-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-amine
CID 81458667
2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-4-propylcyclohexan-1-amine
CID 63025830
N-methyl-N-[(1-methylimidazol-2-yl)methyl]azepan-4-amine
CID 63904236
2-(azetidin-3-yl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]propan-1-amine
CID 116679986
1-methyl-2-(pyrrolidin-2-ylmethyl)imidazole;hydrochloride
CID 71298900
1-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]cyclopropan-1-amine
CID 65459116
N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]but-2-ene-1,4-diamine
CID 77110593
N-methyl-N-[(1-methylimidazol-2-yl)methyl]piperidine-4-carboxamide
CID 54873646

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-(3-methylpyrrolidin-2-yl)methanamine?
The IUPAC name of N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-(3-methylpyrrolidin-2-yl)methanamine (CID 102775975) is N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-(3-methylpyrrolidin-2-yl)methanamine.
What is the SMILES notation for N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-(3-methylpyrrolidin-2-yl)methanamine?
The canonical SMILES for N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-(3-methylpyrrolidin-2-yl)methanamine is CC1CCNC1CN(C)Cc1nccn1C.
What is the InChIKey of N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-(3-methylpyrrolidin-2-yl)methanamine?
The InChIKey is YNTPAHGMHBUMLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-10-4-5-13-11(10)8-15(2)9-12-14-6-7-16(12)3/h6-7,10-11,13H,4-5,8-9H2,1-3H3.
What are the key properties of N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-(3-methylpyrrolidin-2-yl)methanamine?
N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-(3-methylpyrrolidin-2-yl)methanamine has a molecular weight of 222.34 g/mol, XLogP of 0.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-(3-methylpyrrolidin-2-yl)methanamine is sourced from PubChem (CID 102775975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).