N-[cyclobutyl(thiophen-3-yl)methyl]propan-1-amine

C12H19NS — CID 65104762

IUPACN-[cyclobutyl(thiophen-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccsc1)C1CCC1
InChIInChI=1S/C12H19NS/c1-2-7-13-12(10-4-3-5-10)11-6-8-14-9-11/h6,8-10,12-13H,2-5,7H2,1H3
InChIKeyGXHWNNGDDJXZRM-UHFFFAOYSA-N
MW209.36 g/mol
LogP3.59
Rot. Bonds5

About N-[cyclobutyl(thiophen-3-yl)methyl]propan-1-amine

N-[cyclobutyl(thiophen-3-yl)methyl]propan-1-amine (PubChem CID 65104762) has the molecular formula C12H19NS and a molecular weight of 209.36 g/mol. Its IUPAC name is N-[cyclobutyl(thiophen-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[cyclobutyl(thiophen-3-yl)methyl]propan-1-amine
PubChem CID65104762
Molecular FormulaC12H19NS
Molecular Weight209.36 g/mol
Exact Mass209.12
IUPAC NameN-[cyclobutyl(thiophen-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccsc1)C1CCC1
InChIInChI=1S/C12H19NS/c1-2-7-13-12(10-4-3-5-10)11-6-8-14-9-11/h6,8-10,12-13H,2-5,7H2,1H3
InChIKeyGXHWNNGDDJXZRM-UHFFFAOYSA-N
XLogP3.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.36
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[cyclohexyl(thiophen-3-yl)methyl]propan-1-amine
CID 60819375
N-[cyclooctyl(thiophen-3-yl)methyl]propan-1-amine
CID 80611349
N-[(4-tert-butylcyclohexyl)-thiophen-3-ylmethyl]propan-1-amine
CID 65415541
N-[(5-methyloxolan-2-yl)-thiophen-3-ylmethyl]propan-1-amine
CID 104988409
1-cyclobutyl-N-propyl-3-thiophen-3-ylpropan-1-amine
CID 64986471
N-[cyclohexyl-(4-ethylphenyl)methyl]propan-1-amine
CID 43496590
N-[cyclobutyl-(3-iodophenyl)methyl]propan-1-amine
CID 105049407
N-[cyclooctyl-(5-methylthiophen-3-yl)methyl]propan-1-amine
CID 80609279
N-[cyclobutyl-(5-methylfuran-3-yl)methyl]propan-1-amine
CID 105049438
N-[(3,3-difluorocyclohexyl)-thiophen-3-ylmethyl]ethanamine
CID 114216048
N-[cyclohexyl-(4-cyclopropyloxyphenyl)methyl]propan-1-amine
CID 114519278
2-methyl-N-propyl-1-thiophen-3-ylpropan-1-amine
CID 60819374

Frequently Asked Questions

What is the IUPAC name of N-[cyclobutyl(thiophen-3-yl)methyl]propan-1-amine?
The IUPAC name of N-[cyclobutyl(thiophen-3-yl)methyl]propan-1-amine (CID 65104762) is N-[cyclobutyl(thiophen-3-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[cyclobutyl(thiophen-3-yl)methyl]propan-1-amine?
The canonical SMILES for N-[cyclobutyl(thiophen-3-yl)methyl]propan-1-amine is CCCNC(c1ccsc1)C1CCC1.
What is the InChIKey of N-[cyclobutyl(thiophen-3-yl)methyl]propan-1-amine?
The InChIKey is GXHWNNGDDJXZRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NS/c1-2-7-13-12(10-4-3-5-10)11-6-8-14-9-11/h6,8-10,12-13H,2-5,7H2,1H3.
What are the key properties of N-[cyclobutyl(thiophen-3-yl)methyl]propan-1-amine?
N-[cyclobutyl(thiophen-3-yl)methyl]propan-1-amine has a molecular weight of 209.36 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclobutyl(thiophen-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 65104762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).