(1-pentylcyclobutyl)-thiophen-2-ylmethanamine

C14H23NS — CID 70482574

IUPAC(1-pentylcyclobutyl)-thiophen-2-ylmethanamine
SMILESCCCCCC1(C(N)c2cccs2)CCC1
InChIInChI=1S/C14H23NS/c1-2-3-4-8-14(9-6-10-14)13(15)12-7-5-11-16-12/h5,7,11,13H,2-4,6,8-10,15H2,1H3
InChIKeyUCICZTOELCPDTI-UHFFFAOYSA-N
MW237.41 g/mol
LogP4.50
Rot. Bonds6

About (1-pentylcyclobutyl)-thiophen-2-ylmethanamine

(1-pentylcyclobutyl)-thiophen-2-ylmethanamine (PubChem CID 70482574) has the molecular formula C14H23NS and a molecular weight of 237.41 g/mol. Its IUPAC name is (1-pentylcyclobutyl)-thiophen-2-ylmethanamine.

Molecular Properties

Compound Name(1-pentylcyclobutyl)-thiophen-2-ylmethanamine
PubChem CID70482574
Molecular FormulaC14H23NS
Molecular Weight237.41 g/mol
Exact Mass237.16
IUPAC Name(1-pentylcyclobutyl)-thiophen-2-ylmethanamine
SMILESCCCCCC1(C(N)c2cccs2)CCC1
InChIInChI=1S/C14H23NS/c1-2-3-4-8-14(9-6-10-14)13(15)12-7-5-11-16-12/h5,7,11,13H,2-4,6,8-10,15H2,1H3
InChIKeyUCICZTOELCPDTI-UHFFFAOYSA-N
XLogP4.50
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.41
LogP ≤ 54.50
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

1-thiophen-2-ylundecan-1-amine
CID 63414388
1-thiophen-2-yloctan-1-amine
CID 22115201
2-tetradecan-7-ylthiophene
CID 137450901
1-hexoxy-1-thiophen-2-ylbutan-2-amine
CID 55021024
2-heptadecan-5-ylthiophene
CID 19734009
N-ethyl-1-thiophen-2-ylundecan-1-amine
CID 55186605
2-(1-bromononyl)thiophene
CID 65427153
2-[(2-amino-1-thiophen-2-ylbutyl)-butylamino]ethanol
CID 55022203
(R)-N-[(R)-(1-ethylcyclobutyl)-thiophen-2-ylmethyl]-2-methylpropane-2-sulfinamide
CID 162770303
N,N-dimethyl-1-[1-(methylaminomethyl)cyclobutyl]-1-thiophen-2-ylmethanamine
CID 116912556
methyl 2-thiophen-2-yloctanoate
CID 67745736
(4-butylphenyl)-thiophen-2-ylmethanamine
CID 4962878

Frequently Asked Questions

What is the IUPAC name of (1-pentylcyclobutyl)-thiophen-2-ylmethanamine?
The IUPAC name of (1-pentylcyclobutyl)-thiophen-2-ylmethanamine (CID 70482574) is (1-pentylcyclobutyl)-thiophen-2-ylmethanamine.
What is the SMILES notation for (1-pentylcyclobutyl)-thiophen-2-ylmethanamine?
The canonical SMILES for (1-pentylcyclobutyl)-thiophen-2-ylmethanamine is CCCCCC1(C(N)c2cccs2)CCC1.
What is the InChIKey of (1-pentylcyclobutyl)-thiophen-2-ylmethanamine?
The InChIKey is UCICZTOELCPDTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NS/c1-2-3-4-8-14(9-6-10-14)13(15)12-7-5-11-16-12/h5,7,11,13H,2-4,6,8-10,15H2,1H3.
What are the key properties of (1-pentylcyclobutyl)-thiophen-2-ylmethanamine?
(1-pentylcyclobutyl)-thiophen-2-ylmethanamine has a molecular weight of 237.41 g/mol, XLogP of 4.50, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-pentylcyclobutyl)-thiophen-2-ylmethanamine is sourced from PubChem (CID 70482574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).