2-methyl-2-[[(4-methyl-1,3-thiazol-5-yl)methylamino]methyl]cyclopentan-1-amine

C12H21N3S — CID 82767770

IUPAC2-methyl-2-[[(4-methyl-1,3-thiazol-5-yl)methylamino]methyl]cyclopentan-1-amine
SMILESCc1ncsc1CNCC1(C)CCCC1N
InChIInChI=1S/C12H21N3S/c1-9-10(16-8-15-9)6-14-7-12(2)5-3-4-11(12)13/h8,11,14H,3-7,13H2,1-2H3
InChIKeyICPLXNMGRWMCLA-UHFFFAOYSA-N
MW239.39 g/mol
LogP2.06
Rot. Bonds4

About 2-methyl-2-[[(4-methyl-1,3-thiazol-5-yl)methylamino]methyl]cyclopentan-1-amine

2-methyl-2-[[(4-methyl-1,3-thiazol-5-yl)methylamino]methyl]cyclopentan-1-amine (PubChem CID 82767770) has the molecular formula C12H21N3S and a molecular weight of 239.39 g/mol. Its IUPAC name is 2-methyl-2-[[(4-methyl-1,3-thiazol-5-yl)methylamino]methyl]cyclopentan-1-amine.

Molecular Properties

Compound Name2-methyl-2-[[(4-methyl-1,3-thiazol-5-yl)methylamino]methyl]cyclopentan-1-amine
PubChem CID82767770
Molecular FormulaC12H21N3S
Molecular Weight239.39 g/mol
Exact Mass239.15
IUPAC Name2-methyl-2-[[(4-methyl-1,3-thiazol-5-yl)methylamino]methyl]cyclopentan-1-amine
SMILESCc1ncsc1CNCC1(C)CCCC1N
InChIInChI=1S/C12H21N3S/c1-9-10(16-8-15-9)6-14-7-12(2)5-3-4-11(12)13/h8,11,14H,3-7,13H2,1-2H3
InChIKeyICPLXNMGRWMCLA-UHFFFAOYSA-N
XLogP2.06
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.39
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[[(4-methyl-1,3-thiazol-5-yl)methylamino]methyl]cyclopentan-1-amine?
The IUPAC name of 2-methyl-2-[[(4-methyl-1,3-thiazol-5-yl)methylamino]methyl]cyclopentan-1-amine (CID 82767770) is 2-methyl-2-[[(4-methyl-1,3-thiazol-5-yl)methylamino]methyl]cyclopentan-1-amine.
What is the SMILES notation for 2-methyl-2-[[(4-methyl-1,3-thiazol-5-yl)methylamino]methyl]cyclopentan-1-amine?
The canonical SMILES for 2-methyl-2-[[(4-methyl-1,3-thiazol-5-yl)methylamino]methyl]cyclopentan-1-amine is Cc1ncsc1CNCC1(C)CCCC1N.
What is the InChIKey of 2-methyl-2-[[(4-methyl-1,3-thiazol-5-yl)methylamino]methyl]cyclopentan-1-amine?
The InChIKey is ICPLXNMGRWMCLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S/c1-9-10(16-8-15-9)6-14-7-12(2)5-3-4-11(12)13/h8,11,14H,3-7,13H2,1-2H3.
What are the key properties of 2-methyl-2-[[(4-methyl-1,3-thiazol-5-yl)methylamino]methyl]cyclopentan-1-amine?
2-methyl-2-[[(4-methyl-1,3-thiazol-5-yl)methylamino]methyl]cyclopentan-1-amine has a molecular weight of 239.39 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[[(4-methyl-1,3-thiazol-5-yl)methylamino]methyl]cyclopentan-1-amine is sourced from PubChem (CID 82767770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).