N-[4-(2,5-dimethylthiophen-3-yl)butyl]cyclopropanamine

C13H21NS — CID 65305738

IUPACN-[4-(2,5-dimethylthiophen-3-yl)butyl]cyclopropanamine
SMILESCc1cc(CCCCNC2CC2)c(C)s1
InChIInChI=1S/C13H21NS/c1-10-9-12(11(2)15-10)5-3-4-8-14-13-6-7-13/h9,13-14H,3-8H2,1-2H3
InChIKeyXYRHUCJKTFHLLP-UHFFFAOYSA-N
MW223.38 g/mol
LogP3.44
Rot. Bonds6

About N-[4-(2,5-dimethylthiophen-3-yl)butyl]cyclopropanamine

N-[4-(2,5-dimethylthiophen-3-yl)butyl]cyclopropanamine (PubChem CID 65305738) has the molecular formula C13H21NS and a molecular weight of 223.38 g/mol. Its IUPAC name is N-[4-(2,5-dimethylthiophen-3-yl)butyl]cyclopropanamine.

Molecular Properties

Compound NameN-[4-(2,5-dimethylthiophen-3-yl)butyl]cyclopropanamine
PubChem CID65305738
Molecular FormulaC13H21NS
Molecular Weight223.38 g/mol
Exact Mass223.14
IUPAC NameN-[4-(2,5-dimethylthiophen-3-yl)butyl]cyclopropanamine
SMILESCc1cc(CCCCNC2CC2)c(C)s1
InChIInChI=1S/C13H21NS/c1-10-9-12(11(2)15-10)5-3-4-8-14-13-6-7-13/h9,13-14H,3-8H2,1-2H3
InChIKeyXYRHUCJKTFHLLP-UHFFFAOYSA-N
XLogP3.44
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 ≤ 53.44
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-[2-[2-(2,5-dimethylthiophen-3-yl)ethoxy]ethyl]cyclopropanamine
CID 65303412
N-[4-[2-methyl-5-(propylaminomethyl)thiophen-3-yl]butyl]cyclopropanamine
CID 80729000
N-[6-(5-methylthiophen-2-yl)hexyl]cyclopropanamine
CID 65308377
N-[6-(3,4-dimethylphenyl)hexyl]cyclopropanamine
CID 65308417
N-[4-(2,4,5-trimethylphenyl)butyl]cyclopentanamine
CID 98017018
3-(2,5-dimethylthiophen-3-yl)propan-1-amine
CID 55266682
4-(2,5-dimethylthiophen-3-yl)butane-1-sulfonic acid
CID 121369337
N-[4-[2-methyl-5-(methylaminomethyl)furan-3-yl]butyl]cyclopropanamine
CID 66339544
N-[5-(2-chloro-4-fluoro-5-methylphenyl)pentyl]cyclopropanamine
CID 81050602
N-[4-(5-bromo-2-methoxy-4-methylphenyl)butyl]cyclopropanamine
CID 65434549
N-[5-(2-ethoxy-5-methylphenyl)pentyl]cyclopropanamine
CID 65305770
N-[2-(2,5-dimethylthiophen-3-yl)ethyl]propan-1-amine
CID 64865985

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,5-dimethylthiophen-3-yl)butyl]cyclopropanamine?
The IUPAC name of N-[4-(2,5-dimethylthiophen-3-yl)butyl]cyclopropanamine (CID 65305738) is N-[4-(2,5-dimethylthiophen-3-yl)butyl]cyclopropanamine.
What is the SMILES notation for N-[4-(2,5-dimethylthiophen-3-yl)butyl]cyclopropanamine?
The canonical SMILES for N-[4-(2,5-dimethylthiophen-3-yl)butyl]cyclopropanamine is Cc1cc(CCCCNC2CC2)c(C)s1.
What is the InChIKey of N-[4-(2,5-dimethylthiophen-3-yl)butyl]cyclopropanamine?
The InChIKey is XYRHUCJKTFHLLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NS/c1-10-9-12(11(2)15-10)5-3-4-8-14-13-6-7-13/h9,13-14H,3-8H2,1-2H3.
What are the key properties of N-[4-(2,5-dimethylthiophen-3-yl)butyl]cyclopropanamine?
N-[4-(2,5-dimethylthiophen-3-yl)butyl]cyclopropanamine has a molecular weight of 223.38 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,5-dimethylthiophen-3-yl)butyl]cyclopropanamine is sourced from PubChem (CID 65305738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).