1-(5-ethylthiophen-2-yl)tridecan-2-amine

C19H35NS — CID 115842421

IUPAC1-(5-ethylthiophen-2-yl)tridecan-2-amine
SMILESCCCCCCCCCCCC(N)Cc1ccc(CC)s1
InChIInChI=1S/C19H35NS/c1-3-5-6-7-8-9-10-11-12-13-17(20)16-19-15-14-18(4-2)21-19/h14-15,17H,3-13,16,20H2,1-2H3
InChIKeyONWBCAAJXAFASO-UHFFFAOYSA-N
MW309.56 g/mol
LogP6.10
Rot. Bonds13

About 1-(5-ethylthiophen-2-yl)tridecan-2-amine

1-(5-ethylthiophen-2-yl)tridecan-2-amine (PubChem CID 115842421) has the molecular formula C19H35NS and a molecular weight of 309.56 g/mol. Its IUPAC name is 1-(5-ethylthiophen-2-yl)tridecan-2-amine.

Molecular Properties

Compound Name1-(5-ethylthiophen-2-yl)tridecan-2-amine
PubChem CID115842421
Molecular FormulaC19H35NS
Molecular Weight309.56 g/mol
Exact Mass309.25
IUPAC Name1-(5-ethylthiophen-2-yl)tridecan-2-amine
SMILESCCCCCCCCCCCC(N)Cc1ccc(CC)s1
InChIInChI=1S/C19H35NS/c1-3-5-6-7-8-9-10-11-12-13-17(20)16-19-15-14-18(4-2)21-19/h14-15,17H,3-13,16,20H2,1-2H3
InChIKeyONWBCAAJXAFASO-UHFFFAOYSA-N
XLogP6.10
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.56
LogP ≤ 56.10
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-(5-ethylthiophen-2-yl)decan-2-ylhydrazine
CID 105296454
N-ethyl-1-(5-ethylthiophen-2-yl)decan-2-amine
CID 115842720
1-(5-ethylthiophen-2-yl)-5,5,5-trifluoropentan-2-amine
CID 79952744
1-(5-ethylthiophen-2-yl)hexan-2-ylhydrazine
CID 105245716
1-thiophen-2-yltridecan-2-amine
CID 65428259
2-dodecyl-5-ethylthiophene
CID 528251
1-(4-ethylphenyl)undecan-2-amine
CID 115803351
1-(5-ethylthiophen-2-yl)dodecan-1-ol
CID 65426188
4-[5-(2,4-diaminobutyl)thiophen-2-yl]butane-1,3-diamine
CID 91468234
1-[5-(2-aminobutyl)thiophen-2-yl]butan-2-amine;hydrochloride
CID 170888988
1-(1,3-thiazol-5-yl)heptan-2-amine
CID 105030705
1-(5-ethylthiophen-2-yl)undecylhydrazine
CID 105298310

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethylthiophen-2-yl)tridecan-2-amine?
The IUPAC name of 1-(5-ethylthiophen-2-yl)tridecan-2-amine (CID 115842421) is 1-(5-ethylthiophen-2-yl)tridecan-2-amine.
What is the SMILES notation for 1-(5-ethylthiophen-2-yl)tridecan-2-amine?
The canonical SMILES for 1-(5-ethylthiophen-2-yl)tridecan-2-amine is CCCCCCCCCCCC(N)Cc1ccc(CC)s1.
What is the InChIKey of 1-(5-ethylthiophen-2-yl)tridecan-2-amine?
The InChIKey is ONWBCAAJXAFASO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35NS/c1-3-5-6-7-8-9-10-11-12-13-17(20)16-19-15-14-18(4-2)21-19/h14-15,17H,3-13,16,20H2,1-2H3.
What are the key properties of 1-(5-ethylthiophen-2-yl)tridecan-2-amine?
1-(5-ethylthiophen-2-yl)tridecan-2-amine has a molecular weight of 309.56 g/mol, XLogP of 6.10, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethylthiophen-2-yl)tridecan-2-amine is sourced from PubChem (CID 115842421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).