N-methyl-N-(pyrazin-2-ylmethyl)-1-[(3R)-pyrrolidin-3-yl]methanamine

C11H18N4 — CID 97164667

IUPACN-methyl-N-(pyrazin-2-ylmethyl)-1-[(3R)-pyrrolidin-3-yl]methanamine
SMILESCN(Cc1cnccn1)C[C@@H]1CCNC1
InChIInChI=1S/C11H18N4/c1-15(8-10-2-3-12-6-10)9-11-7-13-4-5-14-11/h4-5,7,10,12H,2-3,6,8-9H2,1H3/t10-/m1/s1
InChIKeyLUMFHYBXNFDBCO-SNVBAGLBSA-N
MW206.29 g/mol
LogP0.52
Rot. Bonds4

About N-methyl-N-(pyrazin-2-ylmethyl)-1-[(3R)-pyrrolidin-3-yl]methanamine

N-methyl-N-(pyrazin-2-ylmethyl)-1-[(3R)-pyrrolidin-3-yl]methanamine (PubChem CID 97164667) has the molecular formula C11H18N4 and a molecular weight of 206.29 g/mol. Its IUPAC name is N-methyl-N-(pyrazin-2-ylmethyl)-1-[(3R)-pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound NameN-methyl-N-(pyrazin-2-ylmethyl)-1-[(3R)-pyrrolidin-3-yl]methanamine
PubChem CID97164667
Molecular FormulaC11H18N4
Molecular Weight206.29 g/mol
Exact Mass206.15
IUPAC NameN-methyl-N-(pyrazin-2-ylmethyl)-1-[(3R)-pyrrolidin-3-yl]methanamine
SMILESCN(Cc1cnccn1)C[C@@H]1CCNC1
InChIInChI=1S/C11H18N4/c1-15(8-10-2-3-12-6-10)9-11-7-13-4-5-14-11/h4-5,7,10,12H,2-3,6,8-9H2,1H3/t10-/m1/s1
InChIKeyLUMFHYBXNFDBCO-SNVBAGLBSA-N
XLogP0.52
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(pyrazin-2-ylmethyl)-1-[(3R)-pyrrolidin-3-yl]methanamine?
The IUPAC name of N-methyl-N-(pyrazin-2-ylmethyl)-1-[(3R)-pyrrolidin-3-yl]methanamine (CID 97164667) is N-methyl-N-(pyrazin-2-ylmethyl)-1-[(3R)-pyrrolidin-3-yl]methanamine.
What is the SMILES notation for N-methyl-N-(pyrazin-2-ylmethyl)-1-[(3R)-pyrrolidin-3-yl]methanamine?
The canonical SMILES for N-methyl-N-(pyrazin-2-ylmethyl)-1-[(3R)-pyrrolidin-3-yl]methanamine is CN(Cc1cnccn1)C[C@@H]1CCNC1.
What is the InChIKey of N-methyl-N-(pyrazin-2-ylmethyl)-1-[(3R)-pyrrolidin-3-yl]methanamine?
The InChIKey is LUMFHYBXNFDBCO-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H18N4/c1-15(8-10-2-3-12-6-10)9-11-7-13-4-5-14-11/h4-5,7,10,12H,2-3,6,8-9H2,1H3/t10-/m1/s1.
What are the key properties of N-methyl-N-(pyrazin-2-ylmethyl)-1-[(3R)-pyrrolidin-3-yl]methanamine?
N-methyl-N-(pyrazin-2-ylmethyl)-1-[(3R)-pyrrolidin-3-yl]methanamine has a molecular weight of 206.29 g/mol, XLogP of 0.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(pyrazin-2-ylmethyl)-1-[(3R)-pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 97164667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).