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

C13H21NS — CID 65194994

IUPACN-[[1-(thiophen-3-ylmethyl)cyclobutyl]methyl]propan-1-amine
SMILESCCCNCC1(Cc2ccsc2)CCC1
InChIInChI=1S/C13H21NS/c1-2-7-14-11-13(5-3-6-13)9-12-4-8-15-10-12/h4,8,10,14H,2-3,5-7,9,11H2,1H3
InChIKeyFRGMXDRZSPXRGA-UHFFFAOYSA-N
MW223.38 g/mol
LogP3.46
Rot. Bonds6

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

N-[[1-(thiophen-3-ylmethyl)cyclobutyl]methyl]propan-1-amine (PubChem CID 65194994) has the molecular formula C13H21NS and a molecular weight of 223.38 g/mol. Its IUPAC name is N-[[1-(thiophen-3-ylmethyl)cyclobutyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-(thiophen-3-ylmethyl)cyclobutyl]methyl]propan-1-amine
PubChem CID65194994
Molecular FormulaC13H21NS
Molecular Weight223.38 g/mol
Exact Mass223.14
IUPAC NameN-[[1-(thiophen-3-ylmethyl)cyclobutyl]methyl]propan-1-amine
SMILESCCCNCC1(Cc2ccsc2)CCC1
InChIInChI=1S/C13H21NS/c1-2-7-14-11-13(5-3-6-13)9-12-4-8-15-10-12/h4,8,10,14H,2-3,5-7,9,11H2,1H3
InChIKeyFRGMXDRZSPXRGA-UHFFFAOYSA-N
XLogP3.46
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.38
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[4-[[methyl(thiophen-3-ylmethyl)amino]methyl]oxan-4-yl]methyl]propan-1-amine
CID 62392692
N-[(1-propylcyclopropyl)methyl]-1-thiophen-3-ylmethanamine
CID 115696320
[1-(thiophen-3-ylmethyl)cyclopentyl]methanol
CID 66025022
N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-thiophen-3-ylethanamine
CID 114757595
N-[[1-(thiophen-2-ylmethyl)cyclohexyl]methyl]propan-1-amine
CID 62724982
N-[[1-(1,3-thiazol-4-ylmethyl)cyclopentyl]methyl]propan-1-amine
CID 62723392
N-[[1-[[methyl(thiophen-3-ylmethyl)amino]methyl]cyclopentyl]methyl]ethanamine
CID 62257148
N-[[1-[(5-ethylthiophen-2-yl)methyl]cyclohexyl]methyl]propan-1-amine
CID 55195471
N-[[1-[(3-methoxyphenyl)methyl]cyclopentyl]methyl]propan-1-amine
CID 62724802
N-[[1-[(4-propan-2-ylphenyl)methyl]cyclopropyl]methyl]propan-1-amine
CID 66025103
N-[[1-[(3-bromo-4-fluorophenyl)methyl]cyclohexyl]methyl]propan-1-amine
CID 63507129
N-[[4-tert-butyl-1-(thiophen-3-ylmethyl)cyclohexyl]methyl]cyclopropanamine
CID 63507890

Frequently Asked Questions

What is the IUPAC name of N-[[1-(thiophen-3-ylmethyl)cyclobutyl]methyl]propan-1-amine?
The IUPAC name of N-[[1-(thiophen-3-ylmethyl)cyclobutyl]methyl]propan-1-amine (CID 65194994) is N-[[1-(thiophen-3-ylmethyl)cyclobutyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-(thiophen-3-ylmethyl)cyclobutyl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-(thiophen-3-ylmethyl)cyclobutyl]methyl]propan-1-amine is CCCNCC1(Cc2ccsc2)CCC1.
What is the InChIKey of N-[[1-(thiophen-3-ylmethyl)cyclobutyl]methyl]propan-1-amine?
The InChIKey is FRGMXDRZSPXRGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NS/c1-2-7-14-11-13(5-3-6-13)9-12-4-8-15-10-12/h4,8,10,14H,2-3,5-7,9,11H2,1H3.
What are the key properties of N-[[1-(thiophen-3-ylmethyl)cyclobutyl]methyl]propan-1-amine?
N-[[1-(thiophen-3-ylmethyl)cyclobutyl]methyl]propan-1-amine has a molecular weight of 223.38 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(thiophen-3-ylmethyl)cyclobutyl]methyl]propan-1-amine is sourced from PubChem (CID 65194994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).