N-[(3-methoxythiophen-2-yl)methyl]-3-methylcyclobutan-1-amine

C11H17NOS — CID 115711072

IUPACN-[(3-methoxythiophen-2-yl)methyl]-3-methylcyclobutan-1-amine
SMILESCOc1ccsc1CNC1CC(C)C1
InChIInChI=1S/C11H17NOS/c1-8-5-9(6-8)12-7-11-10(13-2)3-4-14-11/h3-4,8-9,12H,5-7H2,1-2H3
InChIKeyHJTRKJKVIBFJNP-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.64
Rot. Bonds4

About N-[(3-methoxythiophen-2-yl)methyl]-3-methylcyclobutan-1-amine

N-[(3-methoxythiophen-2-yl)methyl]-3-methylcyclobutan-1-amine (PubChem CID 115711072) has the molecular formula C11H17NOS and a molecular weight of 211.33 g/mol. Its IUPAC name is N-[(3-methoxythiophen-2-yl)methyl]-3-methylcyclobutan-1-amine.

Molecular Properties

Compound NameN-[(3-methoxythiophen-2-yl)methyl]-3-methylcyclobutan-1-amine
PubChem CID115711072
Molecular FormulaC11H17NOS
Molecular Weight211.33 g/mol
Exact Mass211.10
IUPAC NameN-[(3-methoxythiophen-2-yl)methyl]-3-methylcyclobutan-1-amine
SMILESCOc1ccsc1CNC1CC(C)C1
InChIInChI=1S/C11H17NOS/c1-8-5-9(6-8)12-7-11-10(13-2)3-4-14-11/h3-4,8-9,12H,5-7H2,1-2H3
InChIKeyHJTRKJKVIBFJNP-UHFFFAOYSA-N
XLogP2.64
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-methoxythiophen-2-yl)methylamino]cyclopentan-1-ol
CID 115710956
3-methyl-N-[(2-methylthiophen-3-yl)methyl]cyclobutan-1-amine
CID 130581294
2-ethyl-N-[(3-methoxythiophen-2-yl)methyl]cyclopentan-1-amine
CID 115711130
N-[(3-bromothiophen-2-yl)methyl]-3-methoxycyclobutan-1-amine
CID 104756829
1-methoxy-N-[(3-methoxythiophen-2-yl)methyl]-2-methylpropan-2-amine
CID 115710675
N-[(4-methoxynaphthalen-1-yl)methyl]-3-methylcyclobutan-1-amine
CID 115671454
N-[(2-chloro-6-methoxyphenyl)methyl]-3-methylcyclobutan-1-amine
CID 115671630
2-[(3-methoxythiophen-2-yl)methylamino]ethanol
CID 115710462
[1-[(3-methoxythiophen-2-yl)methylamino]cyclopentyl]methanol
CID 115711097
(2R,6S)-N-[(3-chlorothiophen-2-yl)methyl]-2,6-dimethyloxan-4-amine
CID 124732360
N-[(3-methoxythiophen-2-yl)methyl]-2-phenyl-1-azabicyclo[2.2.2]octan-3-amine
CID 67924228
(2R)-2-N-[(3-methoxythiophen-2-yl)methyl]propane-1,2-diamine
CID 104868109

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxythiophen-2-yl)methyl]-3-methylcyclobutan-1-amine?
The IUPAC name of N-[(3-methoxythiophen-2-yl)methyl]-3-methylcyclobutan-1-amine (CID 115711072) is N-[(3-methoxythiophen-2-yl)methyl]-3-methylcyclobutan-1-amine.
What is the SMILES notation for N-[(3-methoxythiophen-2-yl)methyl]-3-methylcyclobutan-1-amine?
The canonical SMILES for N-[(3-methoxythiophen-2-yl)methyl]-3-methylcyclobutan-1-amine is COc1ccsc1CNC1CC(C)C1.
What is the InChIKey of N-[(3-methoxythiophen-2-yl)methyl]-3-methylcyclobutan-1-amine?
The InChIKey is HJTRKJKVIBFJNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NOS/c1-8-5-9(6-8)12-7-11-10(13-2)3-4-14-11/h3-4,8-9,12H,5-7H2,1-2H3.
What are the key properties of N-[(3-methoxythiophen-2-yl)methyl]-3-methylcyclobutan-1-amine?
N-[(3-methoxythiophen-2-yl)methyl]-3-methylcyclobutan-1-amine has a molecular weight of 211.33 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxythiophen-2-yl)methyl]-3-methylcyclobutan-1-amine is sourced from PubChem (CID 115711072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).