1-[6-(aminomethyl)-5-chloro-2-pyridinyl]-N,N-dimethylpyrrolidin-3-amine

C12H19ClN4 — CID 63168925

IUPAC1-[6-(aminomethyl)-5-chloro-2-pyridinyl]-N,N-dimethylpyrrolidin-3-amine
SMILESCN(C)C1CCN(c2ccc(Cl)c(CN)n2)C1
InChIInChI=1S/C12H19ClN4/c1-16(2)9-5-6-17(8-9)12-4-3-10(13)11(7-14)15-12/h3-4,9H,5-8,14H2,1-2H3
InChIKeyODCZPAKWLDPKQR-UHFFFAOYSA-N
MW254.76 g/mol
LogP1.33
Rot. Bonds3

About 1-[6-(aminomethyl)-5-chloro-2-pyridinyl]-N,N-dimethylpyrrolidin-3-amine

1-[6-(aminomethyl)-5-chloro-2-pyridinyl]-N,N-dimethylpyrrolidin-3-amine (PubChem CID 63168925) has the molecular formula C12H19ClN4 and a molecular weight of 254.76 g/mol. Its IUPAC name is 1-[6-(aminomethyl)-5-chloro-2-pyridinyl]-N,N-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[6-(aminomethyl)-5-chloro-2-pyridinyl]-N,N-dimethylpyrrolidin-3-amine
PubChem CID63168925
Molecular FormulaC12H19ClN4
Molecular Weight254.76 g/mol
Exact Mass254.13
IUPAC Name1-[6-(aminomethyl)-5-chloro-2-pyridinyl]-N,N-dimethylpyrrolidin-3-amine
SMILESCN(C)C1CCN(c2ccc(Cl)c(CN)n2)C1
InChIInChI=1S/C12H19ClN4/c1-16(2)9-5-6-17(8-9)12-4-3-10(13)11(7-14)15-12/h3-4,9H,5-8,14H2,1-2H3
InChIKeyODCZPAKWLDPKQR-UHFFFAOYSA-N
XLogP1.33
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(aminomethyl)-5-chloro-2-pyridinyl]-N,N-dimethylpyrrolidin-3-amine?
The IUPAC name of 1-[6-(aminomethyl)-5-chloro-2-pyridinyl]-N,N-dimethylpyrrolidin-3-amine (CID 63168925) is 1-[6-(aminomethyl)-5-chloro-2-pyridinyl]-N,N-dimethylpyrrolidin-3-amine.
What is the SMILES notation for 1-[6-(aminomethyl)-5-chloro-2-pyridinyl]-N,N-dimethylpyrrolidin-3-amine?
The canonical SMILES for 1-[6-(aminomethyl)-5-chloro-2-pyridinyl]-N,N-dimethylpyrrolidin-3-amine is CN(C)C1CCN(c2ccc(Cl)c(CN)n2)C1.
What is the InChIKey of 1-[6-(aminomethyl)-5-chloro-2-pyridinyl]-N,N-dimethylpyrrolidin-3-amine?
The InChIKey is ODCZPAKWLDPKQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN4/c1-16(2)9-5-6-17(8-9)12-4-3-10(13)11(7-14)15-12/h3-4,9H,5-8,14H2,1-2H3.
What are the key properties of 1-[6-(aminomethyl)-5-chloro-2-pyridinyl]-N,N-dimethylpyrrolidin-3-amine?
1-[6-(aminomethyl)-5-chloro-2-pyridinyl]-N,N-dimethylpyrrolidin-3-amine has a molecular weight of 254.76 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(aminomethyl)-5-chloro-2-pyridinyl]-N,N-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 63168925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).