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

C13H23NS — CID 43109777

IUPACN-[1-(5-methylthiophen-2-yl)ethyl]hexan-1-amine
SMILESCCCCCCNC(C)c1ccc(C)s1
InChIInChI=1S/C13H23NS/c1-4-5-6-7-10-14-12(3)13-9-8-11(2)15-13/h8-9,12,14H,4-7,10H2,1-3H3
InChIKeyNQZKXUNDYYJSKD-UHFFFAOYSA-N
MW225.40 g/mol
LogP4.29
Rot. Bonds7

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

N-[1-(5-methylthiophen-2-yl)ethyl]hexan-1-amine (PubChem CID 43109777) has the molecular formula C13H23NS and a molecular weight of 225.40 g/mol. Its IUPAC name is N-[1-(5-methylthiophen-2-yl)ethyl]hexan-1-amine.

Molecular Properties

Compound NameN-[1-(5-methylthiophen-2-yl)ethyl]hexan-1-amine
PubChem CID43109777
Molecular FormulaC13H23NS
Molecular Weight225.40 g/mol
Exact Mass225.16
IUPAC NameN-[1-(5-methylthiophen-2-yl)ethyl]hexan-1-amine
SMILESCCCCCCNC(C)c1ccc(C)s1
InChIInChI=1S/C13H23NS/c1-4-5-6-7-10-14-12(3)13-9-8-11(2)15-13/h8-9,12,14H,4-7,10H2,1-3H3
InChIKeyNQZKXUNDYYJSKD-UHFFFAOYSA-N
XLogP4.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.40
LogP ≤ 54.29
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-[1-(5-methylthiophen-2-yl)ethyl]nonan-1-amine
CID 63490848
N-[1-(5-methylthiophen-2-yl)ethyl]heptan-1-amine
CID 63455494
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]hexan-1-amine?
The IUPAC name of N-[1-(5-methylthiophen-2-yl)ethyl]hexan-1-amine (CID 43109777) is N-[1-(5-methylthiophen-2-yl)ethyl]hexan-1-amine.
What is the SMILES notation for N-[1-(5-methylthiophen-2-yl)ethyl]hexan-1-amine?
The canonical SMILES for N-[1-(5-methylthiophen-2-yl)ethyl]hexan-1-amine is CCCCCCNC(C)c1ccc(C)s1.
What is the InChIKey of N-[1-(5-methylthiophen-2-yl)ethyl]hexan-1-amine?
The InChIKey is NQZKXUNDYYJSKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NS/c1-4-5-6-7-10-14-12(3)13-9-8-11(2)15-13/h8-9,12,14H,4-7,10H2,1-3H3.
What are the key properties of N-[1-(5-methylthiophen-2-yl)ethyl]hexan-1-amine?
N-[1-(5-methylthiophen-2-yl)ethyl]hexan-1-amine has a molecular weight of 225.40 g/mol, XLogP of 4.29, 7 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]hexan-1-amine is sourced from PubChem (CID 43109777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).