N-[(2,5-dimethylthiophen-3-yl)methyl]-2-methoxycyclopentan-1-amine

C13H21NOS — CID 62087491

IUPACN-[(2,5-dimethylthiophen-3-yl)methyl]-2-methoxycyclopentan-1-amine
SMILESCOC1CCCC1NCc1cc(C)sc1C
InChIInChI=1S/C13H21NOS/c1-9-7-11(10(2)16-9)8-14-12-5-4-6-13(12)15-3/h7,12-14H,4-6,8H2,1-3H3
InChIKeyIBOIMFPQUVDFBH-UHFFFAOYSA-N
MW239.38 g/mol
LogP3.02
Rot. Bonds4

About N-[(2,5-dimethylthiophen-3-yl)methyl]-2-methoxycyclopentan-1-amine

N-[(2,5-dimethylthiophen-3-yl)methyl]-2-methoxycyclopentan-1-amine (PubChem CID 62087491) has the molecular formula C13H21NOS and a molecular weight of 239.38 g/mol. Its IUPAC name is N-[(2,5-dimethylthiophen-3-yl)methyl]-2-methoxycyclopentan-1-amine.

Molecular Properties

Compound NameN-[(2,5-dimethylthiophen-3-yl)methyl]-2-methoxycyclopentan-1-amine
PubChem CID62087491
Molecular FormulaC13H21NOS
Molecular Weight239.38 g/mol
Exact Mass239.13
IUPAC NameN-[(2,5-dimethylthiophen-3-yl)methyl]-2-methoxycyclopentan-1-amine
SMILESCOC1CCCC1NCc1cc(C)sc1C
InChIInChI=1S/C13H21NOS/c1-9-7-11(10(2)16-9)8-14-12-5-4-6-13(12)15-3/h7,12-14H,4-6,8H2,1-3H3
InChIKeyIBOIMFPQUVDFBH-UHFFFAOYSA-N
XLogP3.02
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.38
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]cyclopentan-1-amine
CID 62474062
N-[(4,5-dibromothiophen-2-yl)methyl]-2-methoxycyclopentan-1-amine
CID 102835320
2-[[(2-methoxycyclopentyl)amino]methyl]-6-methylphenol
CID 112554340
N-[(2-bromo-5-methoxyphenyl)methyl]-2-methoxycyclopentan-1-amine
CID 65324218
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-methoxycyclopentan-1-amine
CID 64542086
2-methoxy-N-[(6-methylsulfanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]cyclopentan-1-amine
CID 64988352
3-[[(2-methoxycyclopentyl)amino]methyl]thiophene-2-carboxylic acid
CID 103248534
N-[(2,4-difluorophenyl)methyl]-2-methoxycyclohexan-1-amine
CID 62223825
2-methoxy-N-[(4-methylphenyl)methyl]cyclohexan-1-amine
CID 43765239
5-[[(2-methoxycyclopentyl)amino]methyl]-2-methylaniline
CID 62087722
N-[(3-fluoro-4-methylphenyl)methyl]-2-methoxycyclopentan-1-amine
CID 63645558
2-methoxy-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]cyclopentan-1-amine
CID 82893823

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethylthiophen-3-yl)methyl]-2-methoxycyclopentan-1-amine?
The IUPAC name of N-[(2,5-dimethylthiophen-3-yl)methyl]-2-methoxycyclopentan-1-amine (CID 62087491) is N-[(2,5-dimethylthiophen-3-yl)methyl]-2-methoxycyclopentan-1-amine.
What is the SMILES notation for N-[(2,5-dimethylthiophen-3-yl)methyl]-2-methoxycyclopentan-1-amine?
The canonical SMILES for N-[(2,5-dimethylthiophen-3-yl)methyl]-2-methoxycyclopentan-1-amine is COC1CCCC1NCc1cc(C)sc1C.
What is the InChIKey of N-[(2,5-dimethylthiophen-3-yl)methyl]-2-methoxycyclopentan-1-amine?
The InChIKey is IBOIMFPQUVDFBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NOS/c1-9-7-11(10(2)16-9)8-14-12-5-4-6-13(12)15-3/h7,12-14H,4-6,8H2,1-3H3.
What are the key properties of N-[(2,5-dimethylthiophen-3-yl)methyl]-2-methoxycyclopentan-1-amine?
N-[(2,5-dimethylthiophen-3-yl)methyl]-2-methoxycyclopentan-1-amine has a molecular weight of 239.38 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethylthiophen-3-yl)methyl]-2-methoxycyclopentan-1-amine is sourced from PubChem (CID 62087491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).