N-[(5-ethylthiophen-2-yl)methyl]heptan-1-amine

C14H25NS — CID 106009218

IUPACN-[(5-ethylthiophen-2-yl)methyl]heptan-1-amine
SMILESCCCCCCCNCc1ccc(CC)s1
InChIInChI=1S/C14H25NS/c1-3-5-6-7-8-11-15-12-14-10-9-13(4-2)16-14/h9-10,15H,3-8,11-12H2,1-2H3
InChIKeyOCGOWJWNGQZXOF-UHFFFAOYSA-N
MW239.43 g/mol
LogP4.37
Rot. Bonds9

About N-[(5-ethylthiophen-2-yl)methyl]heptan-1-amine

N-[(5-ethylthiophen-2-yl)methyl]heptan-1-amine (PubChem CID 106009218) has the molecular formula C14H25NS and a molecular weight of 239.43 g/mol. Its IUPAC name is N-[(5-ethylthiophen-2-yl)methyl]heptan-1-amine.

Molecular Properties

Compound NameN-[(5-ethylthiophen-2-yl)methyl]heptan-1-amine
PubChem CID106009218
Molecular FormulaC14H25NS
Molecular Weight239.43 g/mol
Exact Mass239.17
IUPAC NameN-[(5-ethylthiophen-2-yl)methyl]heptan-1-amine
SMILESCCCCCCCNCc1ccc(CC)s1
InChIInChI=1S/C14H25NS/c1-3-5-6-7-8-11-15-12-14-10-9-13(4-2)16-14/h9-10,15H,3-8,11-12H2,1-2H3
InChIKeyOCGOWJWNGQZXOF-UHFFFAOYSA-N
XLogP4.37
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 ≤ 54.37
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

N'-[(5-ethylthiophen-2-yl)methyl]ethane-1,2-diamine
CID 62142433
N-[(5-methoxythiophen-2-yl)methyl]hexan-1-amine
CID 115702222
3-ethylsulfonyl-N-[(5-ethylthiophen-2-yl)methyl]propan-1-amine
CID 106011044
[5-[(hexylamino)methyl]thiophen-2-yl]boronic acid
CID 66723135
5-[(pentylamino)methyl]thiophene-2-carbonitrile
CID 115675351
[5-[(pentylamino)methyl]thiophen-2-yl]boronic acid
CID 66722868
2-dodecyl-5-ethylthiophene
CID 528251
3-cyclopentyl-N-[(5-ethylthiophen-2-yl)methyl]propan-1-amine
CID 106008268
N'-[(5-ethylthiophen-2-yl)methyl]-N-prop-2-ynylethane-1,2-diamine
CID 106012225
N-[(5-pyridin-2-ylthiophen-2-yl)methyl]decan-1-amine
CID 161260709
2,5-diethylthiophene
CID 521294
3-[3-[(5-ethylthiophen-2-yl)methylamino]propyl]aniline
CID 106012145

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethylthiophen-2-yl)methyl]heptan-1-amine?
The IUPAC name of N-[(5-ethylthiophen-2-yl)methyl]heptan-1-amine (CID 106009218) is N-[(5-ethylthiophen-2-yl)methyl]heptan-1-amine.
What is the SMILES notation for N-[(5-ethylthiophen-2-yl)methyl]heptan-1-amine?
The canonical SMILES for N-[(5-ethylthiophen-2-yl)methyl]heptan-1-amine is CCCCCCCNCc1ccc(CC)s1.
What is the InChIKey of N-[(5-ethylthiophen-2-yl)methyl]heptan-1-amine?
The InChIKey is OCGOWJWNGQZXOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NS/c1-3-5-6-7-8-11-15-12-14-10-9-13(4-2)16-14/h9-10,15H,3-8,11-12H2,1-2H3.
What are the key properties of N-[(5-ethylthiophen-2-yl)methyl]heptan-1-amine?
N-[(5-ethylthiophen-2-yl)methyl]heptan-1-amine has a molecular weight of 239.43 g/mol, XLogP of 4.37, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethylthiophen-2-yl)methyl]heptan-1-amine is sourced from PubChem (CID 106009218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).