N-[[1-(aminomethyl)cyclopentyl]methyl]-1-(2-methyl-1,3-thiazol-4-yl)methanamine

C12H21N3S — CID 115435527

IUPACN-[[1-(aminomethyl)cyclopentyl]methyl]-1-(2-methyl-1,3-thiazol-4-yl)methanamine
SMILESCc1nc(CNCC2(CN)CCCC2)cs1
InChIInChI=1S/C12H21N3S/c1-10-15-11(7-16-10)6-14-9-12(8-13)4-2-3-5-12/h7,14H,2-6,8-9,13H2,1H3
InChIKeyZUNMSPJZJCFOSS-UHFFFAOYSA-N
MW239.39 g/mol
LogP2.06
Rot. Bonds5

About N-[[1-(aminomethyl)cyclopentyl]methyl]-1-(2-methyl-1,3-thiazol-4-yl)methanamine

N-[[1-(aminomethyl)cyclopentyl]methyl]-1-(2-methyl-1,3-thiazol-4-yl)methanamine (PubChem CID 115435527) has the molecular formula C12H21N3S and a molecular weight of 239.39 g/mol. Its IUPAC name is N-[[1-(aminomethyl)cyclopentyl]methyl]-1-(2-methyl-1,3-thiazol-4-yl)methanamine.

Molecular Properties

Compound NameN-[[1-(aminomethyl)cyclopentyl]methyl]-1-(2-methyl-1,3-thiazol-4-yl)methanamine
PubChem CID115435527
Molecular FormulaC12H21N3S
Molecular Weight239.39 g/mol
Exact Mass239.15
IUPAC NameN-[[1-(aminomethyl)cyclopentyl]methyl]-1-(2-methyl-1,3-thiazol-4-yl)methanamine
SMILESCc1nc(CNCC2(CN)CCCC2)cs1
InChIInChI=1S/C12H21N3S/c1-10-15-11(7-16-10)6-14-9-12(8-13)4-2-3-5-12/h7,14H,2-6,8-9,13H2,1H3
InChIKeyZUNMSPJZJCFOSS-UHFFFAOYSA-N
XLogP2.06
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
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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Related Compounds

1-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]cyclobutan-1-ol
CID 115621582
N-[[1-(aminomethyl)cyclopentyl]methyl]-1-(4-methyl-1,3-thiazol-2-yl)methanamine
CID 115435528
N-[(4-ethylpiperidin-4-yl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)methanamine
CID 63129839
1-[2-[(2-methyl-1,3-thiazol-4-yl)methylamino]ethyl]cyclohexan-1-amine
CID 64677705
N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)methanamine
CID 113362782
N-[(4-methoxypiperidin-4-yl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)methanamine
CID 114284448
N-[[1-(aminomethyl)cycloheptyl]methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 115445024
N-[(3-ethylpiperidin-3-yl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 114140857
N-[[1-(aminomethyl)cyclobutyl]methyl]-1-(3-methylthiophen-2-yl)methanamine
CID 115449118
2-methyl-3-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]oxolan-3-ol
CID 107268247
methyl 4-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]oxane-4-carboxylate
CID 75504129
4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]oxan-4-amine
CID 115757938

Frequently Asked Questions

What is the IUPAC name of N-[[1-(aminomethyl)cyclopentyl]methyl]-1-(2-methyl-1,3-thiazol-4-yl)methanamine?
The IUPAC name of N-[[1-(aminomethyl)cyclopentyl]methyl]-1-(2-methyl-1,3-thiazol-4-yl)methanamine (CID 115435527) is N-[[1-(aminomethyl)cyclopentyl]methyl]-1-(2-methyl-1,3-thiazol-4-yl)methanamine.
What is the SMILES notation for N-[[1-(aminomethyl)cyclopentyl]methyl]-1-(2-methyl-1,3-thiazol-4-yl)methanamine?
The canonical SMILES for N-[[1-(aminomethyl)cyclopentyl]methyl]-1-(2-methyl-1,3-thiazol-4-yl)methanamine is Cc1nc(CNCC2(CN)CCCC2)cs1.
What is the InChIKey of N-[[1-(aminomethyl)cyclopentyl]methyl]-1-(2-methyl-1,3-thiazol-4-yl)methanamine?
The InChIKey is ZUNMSPJZJCFOSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S/c1-10-15-11(7-16-10)6-14-9-12(8-13)4-2-3-5-12/h7,14H,2-6,8-9,13H2,1H3.
What are the key properties of N-[[1-(aminomethyl)cyclopentyl]methyl]-1-(2-methyl-1,3-thiazol-4-yl)methanamine?
N-[[1-(aminomethyl)cyclopentyl]methyl]-1-(2-methyl-1,3-thiazol-4-yl)methanamine has a molecular weight of 239.39 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(aminomethyl)cyclopentyl]methyl]-1-(2-methyl-1,3-thiazol-4-yl)methanamine is sourced from PubChem (CID 115435527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).