1-[3-(aminomethyl)-4,6-dimethyl-2-pyridinyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol

C15H26N4O — CID 66054592

IUPAC1-[3-(aminomethyl)-4,6-dimethyl-2-pyridinyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol
SMILESCc1cc(C)c(CN)c(N2CC(O)CC2CN(C)C)n1
InChIInChI=1S/C15H26N4O/c1-10-5-11(2)17-15(14(10)7-16)19-9-13(20)6-12(19)8-18(3)4/h5,12-13,20H,6-9,16H2,1-4H3
InChIKeyWOKMEULWYKNMIH-UHFFFAOYSA-N
MW278.40 g/mol
LogP0.66
Rot. Bonds4

About 1-[3-(aminomethyl)-4,6-dimethyl-2-pyridinyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol

1-[3-(aminomethyl)-4,6-dimethyl-2-pyridinyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol (PubChem CID 66054592) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-[3-(aminomethyl)-4,6-dimethyl-2-pyridinyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[3-(aminomethyl)-4,6-dimethyl-2-pyridinyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol
PubChem CID66054592
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name1-[3-(aminomethyl)-4,6-dimethyl-2-pyridinyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol
SMILESCc1cc(C)c(CN)c(N2CC(O)CC2CN(C)C)n1
InChIInChI=1S/C15H26N4O/c1-10-5-11(2)17-15(14(10)7-16)19-9-13(20)6-12(19)8-18(3)4/h5,12-13,20H,6-9,16H2,1-4H3
InChIKeyWOKMEULWYKNMIH-UHFFFAOYSA-N
XLogP0.66
TPSA65.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(aminomethyl)-4,6-dimethyl-2-pyridinyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol?
The IUPAC name of 1-[3-(aminomethyl)-4,6-dimethyl-2-pyridinyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol (CID 66054592) is 1-[3-(aminomethyl)-4,6-dimethyl-2-pyridinyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[3-(aminomethyl)-4,6-dimethyl-2-pyridinyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol?
The canonical SMILES for 1-[3-(aminomethyl)-4,6-dimethyl-2-pyridinyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol is Cc1cc(C)c(CN)c(N2CC(O)CC2CN(C)C)n1.
What is the InChIKey of 1-[3-(aminomethyl)-4,6-dimethyl-2-pyridinyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol?
The InChIKey is WOKMEULWYKNMIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-10-5-11(2)17-15(14(10)7-16)19-9-13(20)6-12(19)8-18(3)4/h5,12-13,20H,6-9,16H2,1-4H3.
What are the key properties of 1-[3-(aminomethyl)-4,6-dimethyl-2-pyridinyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol?
1-[3-(aminomethyl)-4,6-dimethyl-2-pyridinyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol has a molecular weight of 278.40 g/mol, XLogP of 0.66, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(aminomethyl)-4,6-dimethyl-2-pyridinyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 66054592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).