N-[1-(5-methylthiophen-2-yl)ethyl]heptan-1-amine

C14H25NS — CID 63455494

IUPACN-[1-(5-methylthiophen-2-yl)ethyl]heptan-1-amine
SMILESCCCCCCCNC(C)c1ccc(C)s1
InChIInChI=1S/C14H25NS/c1-4-5-6-7-8-11-15-13(3)14-10-9-12(2)16-14/h9-10,13,15H,4-8,11H2,1-3H3
InChIKeyUMUBYGUAPZQFJU-UHFFFAOYSA-N
MW239.43 g/mol
LogP4.68
Rot. Bonds8

About N-[1-(5-methylthiophen-2-yl)ethyl]heptan-1-amine

N-[1-(5-methylthiophen-2-yl)ethyl]heptan-1-amine (PubChem CID 63455494) has the molecular formula C14H25NS and a molecular weight of 239.43 g/mol. Its IUPAC name is N-[1-(5-methylthiophen-2-yl)ethyl]heptan-1-amine.

Molecular Properties

Compound NameN-[1-(5-methylthiophen-2-yl)ethyl]heptan-1-amine
PubChem CID63455494
Molecular FormulaC14H25NS
Molecular Weight239.43 g/mol
Exact Mass239.17
IUPAC NameN-[1-(5-methylthiophen-2-yl)ethyl]heptan-1-amine
SMILESCCCCCCCNC(C)c1ccc(C)s1
InChIInChI=1S/C14H25NS/c1-4-5-6-7-8-11-15-13(3)14-10-9-12(2)16-14/h9-10,13,15H,4-8,11H2,1-3H3
InChIKeyUMUBYGUAPZQFJU-UHFFFAOYSA-N
XLogP4.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.43
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[1-(5-methylthiophen-2-yl)ethyl]heptan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(5-methylthiophen-2-yl)ethyl]hexan-1-amine
CID 43109777
N-[1-(5-methylthiophen-2-yl)ethyl]nonan-1-amine
CID 63490848
N-[1-(5-bromothiophen-2-yl)ethyl]octan-1-amine
CID 115566766
3-methylsulfanyl-N-[1-(5-methylthiophen-2-yl)ethyl]propan-1-amine
CID 61473463
N-ethyl-1-(5-methylthiophen-2-yl)ethanamine
CID 24705103
6-[1-(5-methylthiophen-2-yl)ethylamino]hexan-3-ol
CID 115891820
N-[1-(5-methylthiophen-2-yl)ethyl]nonan-2-amine
CID 63455141
2-[[(1R)-1-(5-methylthiophen-2-yl)ethyl]amino]ethanol
CID 93025500
N-(2-fluoroethyl)-1-(5-methylthiophen-2-yl)ethanamine
CID 80694036
N-[(1R)-1-thiophen-2-ylethyl]heptan-1-amine
CID 81398404
3,3-dimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]butan-1-amine
CID 61473830
2-ethyl-N-[1-(5-methylthiophen-2-yl)ethyl]butan-1-amine
CID 61473499

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methylthiophen-2-yl)ethyl]heptan-1-amine?
The IUPAC name of N-[1-(5-methylthiophen-2-yl)ethyl]heptan-1-amine (CID 63455494) is N-[1-(5-methylthiophen-2-yl)ethyl]heptan-1-amine.
What is the SMILES notation for N-[1-(5-methylthiophen-2-yl)ethyl]heptan-1-amine?
The canonical SMILES for N-[1-(5-methylthiophen-2-yl)ethyl]heptan-1-amine is CCCCCCCNC(C)c1ccc(C)s1.
What is the InChIKey of N-[1-(5-methylthiophen-2-yl)ethyl]heptan-1-amine?
The InChIKey is UMUBYGUAPZQFJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NS/c1-4-5-6-7-8-11-15-13(3)14-10-9-12(2)16-14/h9-10,13,15H,4-8,11H2,1-3H3.
What are the key properties of N-[1-(5-methylthiophen-2-yl)ethyl]heptan-1-amine?
N-[1-(5-methylthiophen-2-yl)ethyl]heptan-1-amine has a molecular weight of 239.43 g/mol, XLogP of 4.68, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methylthiophen-2-yl)ethyl]heptan-1-amine is sourced from PubChem (CID 63455494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).