N-[(5-ethylthiophen-2-yl)methyl]-2-methylpentan-3-amine

C13H23NS — CID 61469407

IUPACN-[(5-ethylthiophen-2-yl)methyl]-2-methylpentan-3-amine
SMILESCCc1ccc(CNC(CC)C(C)C)s1
InChIInChI=1S/C13H23NS/c1-5-11-7-8-12(15-11)9-14-13(6-2)10(3)4/h7-8,10,13-14H,5-6,9H2,1-4H3
InChIKeyJYPXDZOZTVSEQI-UHFFFAOYSA-N
MW225.40 g/mol
LogP3.83
Rot. Bonds6

About N-[(5-ethylthiophen-2-yl)methyl]-2-methylpentan-3-amine

N-[(5-ethylthiophen-2-yl)methyl]-2-methylpentan-3-amine (PubChem CID 61469407) has the molecular formula C13H23NS and a molecular weight of 225.40 g/mol. Its IUPAC name is N-[(5-ethylthiophen-2-yl)methyl]-2-methylpentan-3-amine.

Molecular Properties

Compound NameN-[(5-ethylthiophen-2-yl)methyl]-2-methylpentan-3-amine
PubChem CID61469407
Molecular FormulaC13H23NS
Molecular Weight225.40 g/mol
Exact Mass225.16
IUPAC NameN-[(5-ethylthiophen-2-yl)methyl]-2-methylpentan-3-amine
SMILESCCc1ccc(CNC(CC)C(C)C)s1
InChIInChI=1S/C13H23NS/c1-5-11-7-8-12(15-11)9-14-13(6-2)10(3)4/h7-8,10,13-14H,5-6,9H2,1-4H3
InChIKeyJYPXDZOZTVSEQI-UHFFFAOYSA-N
XLogP3.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.40
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-[(5-phenylthiophen-2-yl)methyl]pentan-3-amine
CID 55191795
N-ethyl-1-(5-ethylthiophen-2-yl)-3-methylbutan-2-amine
CID 62600764
2-[(5-ethylthiophen-2-yl)methylamino]propane-1,3-diol
CID 65312373
(2S)-2-[(5-ethylthiophen-2-yl)methylamino]propanoic acid
CID 83194211
N-[(5-ethylthiophen-2-yl)methyl]-1-phenylpropan-1-amine
CID 62305737
methyl 2-[(5-ethylthiophen-2-yl)methylamino]-3-methylbutanoate
CID 43452285
(1S)-1-cyclopentyl-N-[(5-ethylthiophen-2-yl)methyl]ethanamine
CID 81386418
2,5-diethylthiophene
CID 521294
4-[1-[(5-ethylthiophen-2-yl)methylamino]ethyl]phenol
CID 114136812
1-chloro-N-[(5-ethylthiophen-2-yl)methyl]-4-methylpentan-2-amine
CID 65025603
N-[(5-ethylthiophen-2-yl)methyl]-1-thiophen-2-ylethanamine
CID 43534521
1-(5-ethyl-1,3-thiazol-2-yl)-N-[(5-ethylthiophen-2-yl)methyl]ethanamine
CID 112696852

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethylthiophen-2-yl)methyl]-2-methylpentan-3-amine?
The IUPAC name of N-[(5-ethylthiophen-2-yl)methyl]-2-methylpentan-3-amine (CID 61469407) is N-[(5-ethylthiophen-2-yl)methyl]-2-methylpentan-3-amine.
What is the SMILES notation for N-[(5-ethylthiophen-2-yl)methyl]-2-methylpentan-3-amine?
The canonical SMILES for N-[(5-ethylthiophen-2-yl)methyl]-2-methylpentan-3-amine is CCc1ccc(CNC(CC)C(C)C)s1.
What is the InChIKey of N-[(5-ethylthiophen-2-yl)methyl]-2-methylpentan-3-amine?
The InChIKey is JYPXDZOZTVSEQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NS/c1-5-11-7-8-12(15-11)9-14-13(6-2)10(3)4/h7-8,10,13-14H,5-6,9H2,1-4H3.
What are the key properties of N-[(5-ethylthiophen-2-yl)methyl]-2-methylpentan-3-amine?
N-[(5-ethylthiophen-2-yl)methyl]-2-methylpentan-3-amine has a molecular weight of 225.40 g/mol, XLogP of 3.83, 6 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]-2-methylpentan-3-amine is sourced from PubChem (CID 61469407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).