2-[3-(aminomethyl)-4-methyl-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol

C14H21N3O — CID 113399126

IUPAC2-[3-(aminomethyl)-4-methyl-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol
SMILESCc1ccnc(N2CC3CCC(O)C3C2)c1CN
InChIInChI=1S/C14H21N3O/c1-9-4-5-16-14(11(9)6-15)17-7-10-2-3-13(18)12(10)8-17/h4-5,10,12-13,18H,2-3,6-8,15H2,1H3
InChIKeyZNFWXJDPJHPHMO-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.06
Rot. Bonds2

About 2-[3-(aminomethyl)-4-methyl-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol

2-[3-(aminomethyl)-4-methyl-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol (PubChem CID 113399126) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-[3-(aminomethyl)-4-methyl-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol.

Molecular Properties

Compound Name2-[3-(aminomethyl)-4-methyl-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol
PubChem CID113399126
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name2-[3-(aminomethyl)-4-methyl-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol
SMILESCc1ccnc(N2CC3CCC(O)C3C2)c1CN
InChIInChI=1S/C14H21N3O/c1-9-4-5-16-14(11(9)6-15)17-7-10-2-3-13(18)12(10)8-17/h4-5,10,12-13,18H,2-3,6-8,15H2,1H3
InChIKeyZNFWXJDPJHPHMO-UHFFFAOYSA-N
XLogP1.06
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)-4-methyl-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol?
The IUPAC name of 2-[3-(aminomethyl)-4-methyl-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol (CID 113399126) is 2-[3-(aminomethyl)-4-methyl-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol.
What is the SMILES notation for 2-[3-(aminomethyl)-4-methyl-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol?
The canonical SMILES for 2-[3-(aminomethyl)-4-methyl-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol is Cc1ccnc(N2CC3CCC(O)C3C2)c1CN.
What is the InChIKey of 2-[3-(aminomethyl)-4-methyl-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol?
The InChIKey is ZNFWXJDPJHPHMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-9-4-5-16-14(11(9)6-15)17-7-10-2-3-13(18)12(10)8-17/h4-5,10,12-13,18H,2-3,6-8,15H2,1H3.
What are the key properties of 2-[3-(aminomethyl)-4-methyl-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol?
2-[3-(aminomethyl)-4-methyl-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol has a molecular weight of 247.34 g/mol, XLogP of 1.06, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(aminomethyl)-4-methyl-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol is sourced from PubChem (CID 113399126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).