N,4-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-amine

C11H20N4 — CID 81458667

IUPACN,4-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-amine
SMILESCC1CNCC1N(C)Cc1nccn1C
InChIInChI=1S/C11H20N4/c1-9-6-12-7-10(9)15(3)8-11-13-4-5-14(11)2/h4-5,9-10,12H,6-8H2,1-3H3
InChIKeyRJNVYCSBHRNXEJ-UHFFFAOYSA-N
MW208.31 g/mol
LogP0.46
Rot. Bonds3

About N,4-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-amine

N,4-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-amine (PubChem CID 81458667) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is N,4-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-amine.

Molecular Properties

Compound NameN,4-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-amine
PubChem CID81458667
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC NameN,4-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-amine
SMILESCC1CNCC1N(C)Cc1nccn1C
InChIInChI=1S/C11H20N4/c1-9-6-12-7-10(9)15(3)8-11-13-4-5-14(11)2/h4-5,9-10,12H,6-8H2,1-3H3
InChIKeyRJNVYCSBHRNXEJ-UHFFFAOYSA-N
XLogP0.46
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,4-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pyrrolidine-3-carboxamide
CID 63716496
2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]cycloheptan-1-ol
CID 63026805
2-(azetidin-3-yl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]propan-1-amine
CID 116679986
N-methyl-2-(methylaminomethyl)-N-[(1-methylimidazol-2-yl)methyl]cyclobutan-1-amine
CID 80998325
N-methyl-N-[(1-methylimidazol-2-yl)methyl]azepan-4-amine
CID 63904236
2-(aminomethyl)-N,5-dimethyl-N-[(1-methylimidazol-2-yl)methyl]cyclohexan-1-amine
CID 63013726
2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]cycloheptane-1-carboxylic acid
CID 55179736
2-(azetidin-3-yl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]acetamide
CID 64612010
1-N,3,3-trimethyl-1-N-[(1-methylimidazol-2-yl)methyl]cyclopentane-1,2-diamine
CID 79859996
N-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-(propylaminomethyl)cyclobutan-1-amine
CID 80998324
2-N-ethyl-1-N-methyl-1-N-[(1-methylimidazol-2-yl)methyl]cycloheptane-1,2-diamine
CID 63013410
N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-(3-methylpyrrolidin-2-yl)methanamine
CID 102775975

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-amine?
The IUPAC name of N,4-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-amine (CID 81458667) is N,4-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-amine.
What is the SMILES notation for N,4-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-amine?
The canonical SMILES for N,4-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-amine is CC1CNCC1N(C)Cc1nccn1C.
What is the InChIKey of N,4-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-amine?
The InChIKey is RJNVYCSBHRNXEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c1-9-6-12-7-10(9)15(3)8-11-13-4-5-14(11)2/h4-5,9-10,12H,6-8H2,1-3H3.
What are the key properties of N,4-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-amine?
N,4-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-amine has a molecular weight of 208.31 g/mol, XLogP of 0.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-amine is sourced from PubChem (CID 81458667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).