1-(aminomethyl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]cyclopentan-1-amine

C12H21N3S — CID 63843840

IUPAC1-(aminomethyl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]cyclopentan-1-amine
SMILESCc1ncsc1CN(C)C1(CN)CCCC1
InChIInChI=1S/C12H21N3S/c1-10-11(16-9-14-10)7-15(2)12(8-13)5-3-4-6-12/h9H,3-8,13H2,1-2H3
InChIKeyDTCDBWQGIFMNOV-UHFFFAOYSA-N
MW239.39 g/mol
LogP2.15
Rot. Bonds4

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

1-(aminomethyl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]cyclopentan-1-amine (PubChem CID 63843840) has the molecular formula C12H21N3S and a molecular weight of 239.39 g/mol. Its IUPAC name is 1-(aminomethyl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]cyclopentan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]cyclopentan-1-amine
PubChem CID63843840
Molecular FormulaC12H21N3S
Molecular Weight239.39 g/mol
Exact Mass239.15
IUPAC Name1-(aminomethyl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]cyclopentan-1-amine
SMILESCc1ncsc1CN(C)C1(CN)CCCC1
InChIInChI=1S/C12H21N3S/c1-10-11(16-9-14-10)7-15(2)12(8-13)5-3-4-6-12/h9H,3-8,13H2,1-2H3
InChIKeyDTCDBWQGIFMNOV-UHFFFAOYSA-N
XLogP2.15
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.39
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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]cyclopentan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]cyclopentan-1-amine (CID 63843840) is 1-(aminomethyl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]cyclopentan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]cyclopentan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]cyclopentan-1-amine is Cc1ncsc1CN(C)C1(CN)CCCC1.
What is the InChIKey of 1-(aminomethyl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]cyclopentan-1-amine?
The InChIKey is DTCDBWQGIFMNOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S/c1-10-11(16-9-14-10)7-15(2)12(8-13)5-3-4-6-12/h9H,3-8,13H2,1-2H3.
What are the key properties of 1-(aminomethyl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]cyclopentan-1-amine?
1-(aminomethyl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]cyclopentan-1-amine has a molecular weight of 239.39 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 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]cyclopentan-1-amine is sourced from PubChem (CID 63843840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).