N,N-dimethyl-1-[[1-(1,3-thiazol-4-yl)ethylamino]methyl]cyclopentan-1-amine

C13H23N3S — CID 113344938

IUPACN,N-dimethyl-1-[[1-(1,3-thiazol-4-yl)ethylamino]methyl]cyclopentan-1-amine
SMILESCC(NCC1(N(C)C)CCCC1)c1cscn1
InChIInChI=1S/C13H23N3S/c1-11(12-8-17-10-15-12)14-9-13(16(2)3)6-4-5-7-13/h8,10-11,14H,4-7,9H2,1-3H3
InChIKeyLVVWBLZPVAUTGY-UHFFFAOYSA-N
MW253.41 g/mol
LogP2.67
Rot. Bonds5

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

N,N-dimethyl-1-[[1-(1,3-thiazol-4-yl)ethylamino]methyl]cyclopentan-1-amine (PubChem CID 113344938) has the molecular formula C13H23N3S and a molecular weight of 253.41 g/mol. Its IUPAC name is N,N-dimethyl-1-[[1-(1,3-thiazol-4-yl)ethylamino]methyl]cyclopentan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-1-[[1-(1,3-thiazol-4-yl)ethylamino]methyl]cyclopentan-1-amine
PubChem CID113344938
Molecular FormulaC13H23N3S
Molecular Weight253.41 g/mol
Exact Mass253.16
IUPAC NameN,N-dimethyl-1-[[1-(1,3-thiazol-4-yl)ethylamino]methyl]cyclopentan-1-amine
SMILESCC(NCC1(N(C)C)CCCC1)c1cscn1
InChIInChI=1S/C13H23N3S/c1-11(12-8-17-10-15-12)14-9-13(16(2)3)6-4-5-7-13/h8,10-11,14H,4-7,9H2,1-3H3
InChIKeyLVVWBLZPVAUTGY-UHFFFAOYSA-N
XLogP2.67
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-methylcyclohexyl)methyl]-1-(1,3-thiazol-4-yl)ethanamine
CID 103903502
N-[(1-methylsulfanylcyclobutyl)methyl]-1-(1,3-thiazol-4-yl)ethanamine
CID 107269797
N-(cyclopentylmethyl)-1-(1,3-thiazol-4-yl)ethanamine
CID 115879116
3-[[1-(1,3-thiazol-4-yl)ethylamino]methyl]oxolan-3-ol
CID 115896432
N,N-dimethyl-1-[[1-(3-methylpyrazin-2-yl)ethylamino]methyl]cyclohexan-1-amine
CID 102612303
N-[1-(1,3-thiazol-4-yl)ethyl]propan-2-amine
CID 46784250
2-piperidin-1-yl-N-[1-(1,3-thiazol-4-yl)ethyl]propan-1-amine
CID 115879085
N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1-(1,3-thiazol-4-yl)ethanamine
CID 104628589
N-methyl-1-(1,3-thiazol-4-yl)ethanamine
CID 46784246
N,N-dimethyl-1-[[1-(4-methylphenyl)ethylamino]methyl]cyclopentan-1-amine
CID 81301036
1-(dimethylamino)-2-methyl-3-[1-(1,3-thiazol-4-yl)ethylamino]propan-2-ol
CID 115895822
1-[[1-(2,5-dimethylthiophen-3-yl)ethylamino]methyl]-N,N-dimethylcyclopentan-1-amine
CID 81300272

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[[1-(1,3-thiazol-4-yl)ethylamino]methyl]cyclopentan-1-amine?
The IUPAC name of N,N-dimethyl-1-[[1-(1,3-thiazol-4-yl)ethylamino]methyl]cyclopentan-1-amine (CID 113344938) is N,N-dimethyl-1-[[1-(1,3-thiazol-4-yl)ethylamino]methyl]cyclopentan-1-amine.
What is the SMILES notation for N,N-dimethyl-1-[[1-(1,3-thiazol-4-yl)ethylamino]methyl]cyclopentan-1-amine?
The canonical SMILES for N,N-dimethyl-1-[[1-(1,3-thiazol-4-yl)ethylamino]methyl]cyclopentan-1-amine is CC(NCC1(N(C)C)CCCC1)c1cscn1.
What is the InChIKey of N,N-dimethyl-1-[[1-(1,3-thiazol-4-yl)ethylamino]methyl]cyclopentan-1-amine?
The InChIKey is LVVWBLZPVAUTGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3S/c1-11(12-8-17-10-15-12)14-9-13(16(2)3)6-4-5-7-13/h8,10-11,14H,4-7,9H2,1-3H3.
What are the key properties of N,N-dimethyl-1-[[1-(1,3-thiazol-4-yl)ethylamino]methyl]cyclopentan-1-amine?
N,N-dimethyl-1-[[1-(1,3-thiazol-4-yl)ethylamino]methyl]cyclopentan-1-amine has a molecular weight of 253.41 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[[1-(1,3-thiazol-4-yl)ethylamino]methyl]cyclopentan-1-amine is sourced from PubChem (CID 113344938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).