N-[(1R)-1-thiophen-2-ylethyl]octan-1-amine

C14H25NS — CID 81408736

IUPACN-[(1R)-1-thiophen-2-ylethyl]octan-1-amine
SMILESCCCCCCCCN[C@H](C)c1cccs1
InChIInChI=1S/C14H25NS/c1-3-4-5-6-7-8-11-15-13(2)14-10-9-12-16-14/h9-10,12-13,15H,3-8,11H2,1-2H3/t13-/m1/s1
InChIKeyLVRMDZHVDYSICJ-CYBMUJFWSA-N
MW239.43 g/mol
LogP4.76
Rot. Bonds9

About N-[(1R)-1-thiophen-2-ylethyl]octan-1-amine

N-[(1R)-1-thiophen-2-ylethyl]octan-1-amine (PubChem CID 81408736) has the molecular formula C14H25NS and a molecular weight of 239.43 g/mol. Its IUPAC name is N-[(1R)-1-thiophen-2-ylethyl]octan-1-amine.

Molecular Properties

Compound NameN-[(1R)-1-thiophen-2-ylethyl]octan-1-amine
PubChem CID81408736
Molecular FormulaC14H25NS
Molecular Weight239.43 g/mol
Exact Mass239.17
IUPAC NameN-[(1R)-1-thiophen-2-ylethyl]octan-1-amine
SMILESCCCCCCCCN[C@H](C)c1cccs1
InChIInChI=1S/C14H25NS/c1-3-4-5-6-7-8-11-15-13(2)14-10-9-12-16-14/h9-10,12-13,15H,3-8,11H2,1-2H3/t13-/m1/s1
InChIKeyLVRMDZHVDYSICJ-CYBMUJFWSA-N
XLogP4.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.43
LogP ≤ 54.76
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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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-thiophen-2-ylethyl]octan-1-amine?
The IUPAC name of N-[(1R)-1-thiophen-2-ylethyl]octan-1-amine (CID 81408736) is N-[(1R)-1-thiophen-2-ylethyl]octan-1-amine.
What is the SMILES notation for N-[(1R)-1-thiophen-2-ylethyl]octan-1-amine?
The canonical SMILES for N-[(1R)-1-thiophen-2-ylethyl]octan-1-amine is CCCCCCCCN[C@H](C)c1cccs1.
What is the InChIKey of N-[(1R)-1-thiophen-2-ylethyl]octan-1-amine?
The InChIKey is LVRMDZHVDYSICJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H25NS/c1-3-4-5-6-7-8-11-15-13(2)14-10-9-12-16-14/h9-10,12-13,15H,3-8,11H2,1-2H3/t13-/m1/s1.
What are the key properties of N-[(1R)-1-thiophen-2-ylethyl]octan-1-amine?
N-[(1R)-1-thiophen-2-ylethyl]octan-1-amine has a molecular weight of 239.43 g/mol, XLogP of 4.76, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-thiophen-2-ylethyl]octan-1-amine is sourced from PubChem (CID 81408736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).