1-(aminomethyl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,3,5,6,7,8-hexahydropyrrolizin-1-amine

C14H24N4S — CID 82853076

IUPAC1-(aminomethyl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,3,5,6,7,8-hexahydropyrrolizin-1-amine
SMILESCc1ncsc1CN(C)C1(CN)CCN2CCCC21
InChIInChI=1S/C14H24N4S/c1-11-12(19-10-16-11)8-17(2)14(9-15)5-7-18-6-3-4-13(14)18/h10,13H,3-9,15H2,1-2H3
InChIKeyIWGQKLWGLFSSLW-UHFFFAOYSA-N
MW280.44 g/mol
LogP1.45
Rot. Bonds4

About 1-(aminomethyl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,3,5,6,7,8-hexahydropyrrolizin-1-amine

1-(aminomethyl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,3,5,6,7,8-hexahydropyrrolizin-1-amine (PubChem CID 82853076) has the molecular formula C14H24N4S and a molecular weight of 280.44 g/mol. Its IUPAC name is 1-(aminomethyl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,3,5,6,7,8-hexahydropyrrolizin-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,3,5,6,7,8-hexahydropyrrolizin-1-amine
PubChem CID82853076
Molecular FormulaC14H24N4S
Molecular Weight280.44 g/mol
Exact Mass280.17
IUPAC Name1-(aminomethyl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,3,5,6,7,8-hexahydropyrrolizin-1-amine
SMILESCc1ncsc1CN(C)C1(CN)CCN2CCCC21
InChIInChI=1S/C14H24N4S/c1-11-12(19-10-16-11)8-17(2)14(9-15)5-7-18-6-3-4-13(14)18/h10,13H,3-9,15H2,1-2H3
InChIKeyIWGQKLWGLFSSLW-UHFFFAOYSA-N
XLogP1.45
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,3,5,6,7,8-hexahydropyrrolizin-1-amine?
The IUPAC name of 1-(aminomethyl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,3,5,6,7,8-hexahydropyrrolizin-1-amine (CID 82853076) is 1-(aminomethyl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,3,5,6,7,8-hexahydropyrrolizin-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,3,5,6,7,8-hexahydropyrrolizin-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,3,5,6,7,8-hexahydropyrrolizin-1-amine is Cc1ncsc1CN(C)C1(CN)CCN2CCCC21.
What is the InChIKey of 1-(aminomethyl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,3,5,6,7,8-hexahydropyrrolizin-1-amine?
The InChIKey is IWGQKLWGLFSSLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4S/c1-11-12(19-10-16-11)8-17(2)14(9-15)5-7-18-6-3-4-13(14)18/h10,13H,3-9,15H2,1-2H3.
What are the key properties of 1-(aminomethyl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,3,5,6,7,8-hexahydropyrrolizin-1-amine?
1-(aminomethyl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,3,5,6,7,8-hexahydropyrrolizin-1-amine has a molecular weight of 280.44 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,3,5,6,7,8-hexahydropyrrolizin-1-amine is sourced from PubChem (CID 82853076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).