1-(1-methoxycyclobutyl)-3-thiophen-2-ylpropan-2-amine

C12H19NOS — CID 103556889

IUPAC1-(1-methoxycyclobutyl)-3-thiophen-2-ylpropan-2-amine
SMILESCOC1(CC(N)Cc2cccs2)CCC1
InChIInChI=1S/C12H19NOS/c1-14-12(5-3-6-12)9-10(13)8-11-4-2-7-15-11/h2,4,7,10H,3,5-6,8-9,13H2,1H3
InChIKeySOICFIKVNCLZKT-UHFFFAOYSA-N
MW225.36 g/mol
LogP2.58
Rot. Bonds5

About 1-(1-methoxycyclobutyl)-3-thiophen-2-ylpropan-2-amine

1-(1-methoxycyclobutyl)-3-thiophen-2-ylpropan-2-amine (PubChem CID 103556889) has the molecular formula C12H19NOS and a molecular weight of 225.36 g/mol. Its IUPAC name is 1-(1-methoxycyclobutyl)-3-thiophen-2-ylpropan-2-amine.

Molecular Properties

Compound Name1-(1-methoxycyclobutyl)-3-thiophen-2-ylpropan-2-amine
PubChem CID103556889
Molecular FormulaC12H19NOS
Molecular Weight225.36 g/mol
Exact Mass225.12
IUPAC Name1-(1-methoxycyclobutyl)-3-thiophen-2-ylpropan-2-amine
SMILESCOC1(CC(N)Cc2cccs2)CCC1
InChIInChI=1S/C12H19NOS/c1-14-12(5-3-6-12)9-10(13)8-11-4-2-7-15-11/h2,4,7,10H,3,5-6,8-9,13H2,1H3
InChIKeySOICFIKVNCLZKT-UHFFFAOYSA-N
XLogP2.58
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-bromo-3-(1-methoxycyclobutyl)propyl]thiophene
CID 103558133
1-(furan-2-yl)-3-(1-methoxycyclobutyl)propan-2-amine
CID 103559759
(2S)-1-methoxy-3-thiophen-2-ylpropan-2-amine
CID 94868216
ethane;(2S)-1-methoxy-3-thiophen-2-ylpropan-2-amine;molecular hydrogen
CID 177035877
1-(2,3-dihydro-1H-inden-5-yl)-3-(1-methoxycyclobutyl)propan-2-amine
CID 103559393
1-(3,4-difluorophenyl)-3-(1-methoxycyclobutyl)propan-2-amine
CID 103556970
1-propan-2-yloxy-3-thiophen-2-ylpropan-2-amine
CID 79574491
methyl (2S)-2-amino-3-thiophen-2-ylpropanoate
CID 10899351
methyl (3R)-3-amino-4-thiophen-2-ylbutanoate
CID 141263920
1-(1-methoxycyclobutyl)-3-(2-methoxy-5-methylphenyl)propan-2-amine
CID 103559132
1-methoxy-3-(1-methoxycyclobutyl)propan-2-amine
CID 103559585
1,1-dimethoxy-3-thiophen-2-ylpropan-2-amine
CID 79492317

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxycyclobutyl)-3-thiophen-2-ylpropan-2-amine?
The IUPAC name of 1-(1-methoxycyclobutyl)-3-thiophen-2-ylpropan-2-amine (CID 103556889) is 1-(1-methoxycyclobutyl)-3-thiophen-2-ylpropan-2-amine.
What is the SMILES notation for 1-(1-methoxycyclobutyl)-3-thiophen-2-ylpropan-2-amine?
The canonical SMILES for 1-(1-methoxycyclobutyl)-3-thiophen-2-ylpropan-2-amine is COC1(CC(N)Cc2cccs2)CCC1.
What is the InChIKey of 1-(1-methoxycyclobutyl)-3-thiophen-2-ylpropan-2-amine?
The InChIKey is SOICFIKVNCLZKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NOS/c1-14-12(5-3-6-12)9-10(13)8-11-4-2-7-15-11/h2,4,7,10H,3,5-6,8-9,13H2,1H3.
What are the key properties of 1-(1-methoxycyclobutyl)-3-thiophen-2-ylpropan-2-amine?
1-(1-methoxycyclobutyl)-3-thiophen-2-ylpropan-2-amine has a molecular weight of 225.36 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxycyclobutyl)-3-thiophen-2-ylpropan-2-amine is sourced from PubChem (CID 103556889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).