N-(1-thiophen-3-ylethyl)decan-1-amine

C16H29NS — CID 63491588

IUPACN-(1-thiophen-3-ylethyl)decan-1-amine
SMILESCCCCCCCCCCNC(C)c1ccsc1
InChIInChI=1S/C16H29NS/c1-3-4-5-6-7-8-9-10-12-17-15(2)16-11-13-18-14-16/h11,13-15,17H,3-10,12H2,1-2H3
InChIKeyRDMHTUSJRUCWDE-UHFFFAOYSA-N
MW267.48 g/mol
LogP5.54
Rot. Bonds11

About N-(1-thiophen-3-ylethyl)decan-1-amine

N-(1-thiophen-3-ylethyl)decan-1-amine (PubChem CID 63491588) has the molecular formula C16H29NS and a molecular weight of 267.48 g/mol. Its IUPAC name is N-(1-thiophen-3-ylethyl)decan-1-amine.

Molecular Properties

Compound NameN-(1-thiophen-3-ylethyl)decan-1-amine
PubChem CID63491588
Molecular FormulaC16H29NS
Molecular Weight267.48 g/mol
Exact Mass267.20
IUPAC NameN-(1-thiophen-3-ylethyl)decan-1-amine
SMILESCCCCCCCCCCNC(C)c1ccsc1
InChIInChI=1S/C16H29NS/c1-3-4-5-6-7-8-9-10-12-17-15(2)16-11-13-18-14-16/h11,13-15,17H,3-10,12H2,1-2H3
InChIKeyRDMHTUSJRUCWDE-UHFFFAOYSA-N
XLogP5.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500267.48
LogP ≤ 55.54
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

3-(1-thiophen-3-ylethylamino)propan-1-ol
CID 53274757
N',N'-dimethyl-N-(1-thiophen-3-ylethyl)propane-1,3-diamine
CID 53274606
3-propan-2-yloxy-N-(1-thiophen-3-ylethyl)propan-1-amine
CID 62089262
N-[(1R)-1-phenylethyl]heptan-1-amine
CID 14866487
N-(2-methoxyethyl)-1-thiophen-3-ylethanamine
CID 53274740
N-propyl-1-thiophen-3-yloctan-1-amine
CID 63412772
3-pyrrolidin-1-yl-N-(1-thiophen-3-ylethyl)propan-1-amine
CID 62091363
N-[1-(4-methylphenyl)ethyl]octan-1-amine
CID 5158361
N-[(1S)-1-pyridin-4-ylethyl]decan-1-amine
CID 81410025
N-(1-phenylethyl)octadecan-1-amine;hydrochloride
CID 173151807
N-[1-(4-methylphenyl)ethyl]nonan-1-amine
CID 63491901
N'-butan-2-yl-N'-methyl-N-(1-thiophen-3-ylethyl)ethane-1,2-diamine
CID 115716392

Frequently Asked Questions

What is the IUPAC name of N-(1-thiophen-3-ylethyl)decan-1-amine?
The IUPAC name of N-(1-thiophen-3-ylethyl)decan-1-amine (CID 63491588) is N-(1-thiophen-3-ylethyl)decan-1-amine.
What is the SMILES notation for N-(1-thiophen-3-ylethyl)decan-1-amine?
The canonical SMILES for N-(1-thiophen-3-ylethyl)decan-1-amine is CCCCCCCCCCNC(C)c1ccsc1.
What is the InChIKey of N-(1-thiophen-3-ylethyl)decan-1-amine?
The InChIKey is RDMHTUSJRUCWDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NS/c1-3-4-5-6-7-8-9-10-12-17-15(2)16-11-13-18-14-16/h11,13-15,17H,3-10,12H2,1-2H3.
What are the key properties of N-(1-thiophen-3-ylethyl)decan-1-amine?
N-(1-thiophen-3-ylethyl)decan-1-amine has a molecular weight of 267.48 g/mol, XLogP of 5.54, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-thiophen-3-ylethyl)decan-1-amine is sourced from PubChem (CID 63491588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).