1-(cyclopentylmethoxy)-1-(3-methylthiophen-2-yl)butan-2-amine

C15H25NOS — CID 66322795

IUPAC1-(cyclopentylmethoxy)-1-(3-methylthiophen-2-yl)butan-2-amine
SMILESCCC(N)C(OCC1CCCC1)c1sccc1C
InChIInChI=1S/C15H25NOS/c1-3-13(16)14(15-11(2)8-9-18-15)17-10-12-6-4-5-7-12/h8-9,12-14H,3-7,10,16H2,1-2H3
InChIKeyILTHRNKCSIHIKS-UHFFFAOYSA-N
MW267.44 g/mol
LogP4.04
Rot. Bonds6

About 1-(cyclopentylmethoxy)-1-(3-methylthiophen-2-yl)butan-2-amine

1-(cyclopentylmethoxy)-1-(3-methylthiophen-2-yl)butan-2-amine (PubChem CID 66322795) has the molecular formula C15H25NOS and a molecular weight of 267.44 g/mol. Its IUPAC name is 1-(cyclopentylmethoxy)-1-(3-methylthiophen-2-yl)butan-2-amine.

Molecular Properties

Compound Name1-(cyclopentylmethoxy)-1-(3-methylthiophen-2-yl)butan-2-amine
PubChem CID66322795
Molecular FormulaC15H25NOS
Molecular Weight267.44 g/mol
Exact Mass267.17
IUPAC Name1-(cyclopentylmethoxy)-1-(3-methylthiophen-2-yl)butan-2-amine
SMILESCCC(N)C(OCC1CCCC1)c1sccc1C
InChIInChI=1S/C15H25NOS/c1-3-13(16)14(15-11(2)8-9-18-15)17-10-12-6-4-5-7-12/h8-9,12-14H,3-7,10,16H2,1-2H3
InChIKeyILTHRNKCSIHIKS-UHFFFAOYSA-N
XLogP4.04
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methylthiophen-2-yl)-1-(2-propoxyethoxy)butan-2-amine
CID 55232648
1-(cyclohexylmethoxy)-1-(4-methylphenyl)butan-2-amine
CID 62383299
1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-1-(3-methylthiophen-2-yl)butan-2-amine
CID 112587258
1-(3-methylthiophen-2-yl)-1-(oxolan-3-yloxy)butan-2-amine
CID 63557622
1-(4-bromophenyl)-1-(cyclohexylmethoxy)butan-2-amine
CID 63460497
1-(cyclopentylmethoxy)-1-(furan-2-yl)butan-2-amine
CID 66324500
1-(3-methoxy-3-methylbutoxy)-1-(3-methylthiophen-2-yl)butan-2-amine
CID 106664979
1-(4-chloro-3,5-dimethylphenoxy)-1-(3-methylthiophen-2-yl)butan-2-amine
CID 63460480
1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1-(3-methylthiophen-2-yl)butan-2-amine
CID 102721766
1-(2-cyclopropylethoxy)-1-(3-methylthiophen-2-yl)propan-2-amine
CID 106199961
1-(2,5-dichlorophenoxy)-1-(3-methylthiophen-2-yl)butan-2-amine
CID 63457801
[2-cyclopentyl-1-(3-methylthiophen-2-yl)ethyl]hydrazine
CID 105299133

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopentylmethoxy)-1-(3-methylthiophen-2-yl)butan-2-amine?
The IUPAC name of 1-(cyclopentylmethoxy)-1-(3-methylthiophen-2-yl)butan-2-amine (CID 66322795) is 1-(cyclopentylmethoxy)-1-(3-methylthiophen-2-yl)butan-2-amine.
What is the SMILES notation for 1-(cyclopentylmethoxy)-1-(3-methylthiophen-2-yl)butan-2-amine?
The canonical SMILES for 1-(cyclopentylmethoxy)-1-(3-methylthiophen-2-yl)butan-2-amine is CCC(N)C(OCC1CCCC1)c1sccc1C.
What is the InChIKey of 1-(cyclopentylmethoxy)-1-(3-methylthiophen-2-yl)butan-2-amine?
The InChIKey is ILTHRNKCSIHIKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NOS/c1-3-13(16)14(15-11(2)8-9-18-15)17-10-12-6-4-5-7-12/h8-9,12-14H,3-7,10,16H2,1-2H3.
What are the key properties of 1-(cyclopentylmethoxy)-1-(3-methylthiophen-2-yl)butan-2-amine?
1-(cyclopentylmethoxy)-1-(3-methylthiophen-2-yl)butan-2-amine has a molecular weight of 267.44 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopentylmethoxy)-1-(3-methylthiophen-2-yl)butan-2-amine is sourced from PubChem (CID 66322795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).