N-propyl-1-thiophen-3-yloctan-1-amine

C15H27NS — CID 63412772

IUPACN-propyl-1-thiophen-3-yloctan-1-amine
SMILESCCCCCCCC(NCCC)c1ccsc1
InChIInChI=1S/C15H27NS/c1-3-5-6-7-8-9-15(16-11-4-2)14-10-12-17-13-14/h10,12-13,15-16H,3-9,11H2,1-2H3
InChIKeyVDYWMHXSPMBPAY-UHFFFAOYSA-N
MW253.45 g/mol
LogP5.15
Rot. Bonds10

About N-propyl-1-thiophen-3-yloctan-1-amine

N-propyl-1-thiophen-3-yloctan-1-amine (PubChem CID 63412772) has the molecular formula C15H27NS and a molecular weight of 253.45 g/mol. Its IUPAC name is N-propyl-1-thiophen-3-yloctan-1-amine.

Molecular Properties

Compound NameN-propyl-1-thiophen-3-yloctan-1-amine
PubChem CID63412772
Molecular FormulaC15H27NS
Molecular Weight253.45 g/mol
Exact Mass253.19
IUPAC NameN-propyl-1-thiophen-3-yloctan-1-amine
SMILESCCCCCCCC(NCCC)c1ccsc1
InChIInChI=1S/C15H27NS/c1-3-5-6-7-8-9-15(16-11-4-2)14-10-12-17-13-14/h10,12-13,15-16H,3-9,11H2,1-2H3
InChIKeyVDYWMHXSPMBPAY-UHFFFAOYSA-N
XLogP5.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500253.45
LogP ≤ 55.15
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

5-methyl-N-propyl-1-thiophen-3-ylhexan-1-amine
CID 83161557
3-methylsulfanyl-N-propyl-1-thiophen-3-ylpropan-1-amine
CID 105153946
3-dodecan-6-ylthiophene
CID 129156957
3-tetracosan-12-ylthiophene
CID 175257846
1-(4-chlorophenyl)-N-propyloctan-1-amine
CID 43494757
N-(1-thiophen-3-ylethyl)decan-1-amine
CID 63491588
3-methyl-N-propyl-1-thiophen-3-ylbut-3-en-1-amine
CID 79179129
1-(5-bromothiophen-3-yl)-N-propyldecan-1-amine
CID 105124423
1-(3-chlorothiophen-2-yl)-N-propyldecan-1-amine
CID 80529601
1-(3,5-dimethylphenyl)-N-propyloctan-1-amine
CID 115796817
N-[2-(4-iodophenyl)-1-thiophen-3-ylethyl]propan-1-amine
CID 65477900
3-(oxolan-2-yl)-N-propyl-1-thiophen-3-ylpropan-1-amine
CID 65166768

Frequently Asked Questions

What is the IUPAC name of N-propyl-1-thiophen-3-yloctan-1-amine?
The IUPAC name of N-propyl-1-thiophen-3-yloctan-1-amine (CID 63412772) is N-propyl-1-thiophen-3-yloctan-1-amine.
What is the SMILES notation for N-propyl-1-thiophen-3-yloctan-1-amine?
The canonical SMILES for N-propyl-1-thiophen-3-yloctan-1-amine is CCCCCCCC(NCCC)c1ccsc1.
What is the InChIKey of N-propyl-1-thiophen-3-yloctan-1-amine?
The InChIKey is VDYWMHXSPMBPAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NS/c1-3-5-6-7-8-9-15(16-11-4-2)14-10-12-17-13-14/h10,12-13,15-16H,3-9,11H2,1-2H3.
What are the key properties of N-propyl-1-thiophen-3-yloctan-1-amine?
N-propyl-1-thiophen-3-yloctan-1-amine has a molecular weight of 253.45 g/mol, XLogP of 5.15, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-1-thiophen-3-yloctan-1-amine is sourced from PubChem (CID 63412772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).