N-ethyl-4,4-dimethyl-1-(3-methylthiophen-2-yl)pentan-3-amine

C14H25NS — CID 79994930

IUPACN-ethyl-4,4-dimethyl-1-(3-methylthiophen-2-yl)pentan-3-amine
SMILESCCNC(CCc1sccc1C)C(C)(C)C
InChIInChI=1S/C14H25NS/c1-6-15-13(14(3,4)5)8-7-12-11(2)9-10-16-12/h9-10,13,15H,6-8H2,1-5H3
InChIKeyHKDJYWPTEWKQFH-UHFFFAOYSA-N
MW239.43 g/mol
LogP4.01
Rot. Bonds5

About N-ethyl-4,4-dimethyl-1-(3-methylthiophen-2-yl)pentan-3-amine

N-ethyl-4,4-dimethyl-1-(3-methylthiophen-2-yl)pentan-3-amine (PubChem CID 79994930) has the molecular formula C14H25NS and a molecular weight of 239.43 g/mol. Its IUPAC name is N-ethyl-4,4-dimethyl-1-(3-methylthiophen-2-yl)pentan-3-amine.

Molecular Properties

Compound NameN-ethyl-4,4-dimethyl-1-(3-methylthiophen-2-yl)pentan-3-amine
PubChem CID79994930
Molecular FormulaC14H25NS
Molecular Weight239.43 g/mol
Exact Mass239.17
IUPAC NameN-ethyl-4,4-dimethyl-1-(3-methylthiophen-2-yl)pentan-3-amine
SMILESCCNC(CCc1sccc1C)C(C)(C)C
InChIInChI=1S/C14H25NS/c1-6-15-13(14(3,4)5)8-7-12-11(2)9-10-16-12/h9-10,13,15H,6-8H2,1-5H3
InChIKeyHKDJYWPTEWKQFH-UHFFFAOYSA-N
XLogP4.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.43
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4,4-dimethyl-1-(3-methylthiophen-2-yl)pentan-3-ol
CID 79995429
2,2-dimethyl-N-[(3-methylthiophen-2-yl)methyl]pentan-3-amine;hydrochloride
CID 115616073
1-(3-chlorothiophen-2-yl)-4,4-dimethyl-N-propylpentan-3-amine
CID 107360809
N-ethyl-2,2-dimethyl-6-(1,3-thiazol-2-yl)hexan-3-amine
CID 79823975
2-(3-bromobutyl)-3-methylthiophene
CID 79994830
2-(3-chlorohexyl)-3-methylthiophene
CID 79996095
3-methyl-N-[2-(3-methylthiophen-2-yl)ethyl]butan-2-amine
CID 115898789
3-methyl-5-(3-methylthiophen-2-yl)-N-propylpentan-1-amine
CID 65303987
3-(3-methylthiophen-2-yl)propan-1-ol
CID 55267212
4-amino-1-(3-methylthiophen-2-yl)heptan-3-ol
CID 83929212
N-ethyl-2,2-dimethyl-6-phenylhexan-3-amine
CID 62600038
2-(3-methylthiophen-2-yl)ethanethiol
CID 55274895

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4,4-dimethyl-1-(3-methylthiophen-2-yl)pentan-3-amine?
The IUPAC name of N-ethyl-4,4-dimethyl-1-(3-methylthiophen-2-yl)pentan-3-amine (CID 79994930) is N-ethyl-4,4-dimethyl-1-(3-methylthiophen-2-yl)pentan-3-amine.
What is the SMILES notation for N-ethyl-4,4-dimethyl-1-(3-methylthiophen-2-yl)pentan-3-amine?
The canonical SMILES for N-ethyl-4,4-dimethyl-1-(3-methylthiophen-2-yl)pentan-3-amine is CCNC(CCc1sccc1C)C(C)(C)C.
What is the InChIKey of N-ethyl-4,4-dimethyl-1-(3-methylthiophen-2-yl)pentan-3-amine?
The InChIKey is HKDJYWPTEWKQFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NS/c1-6-15-13(14(3,4)5)8-7-12-11(2)9-10-16-12/h9-10,13,15H,6-8H2,1-5H3.
What are the key properties of N-ethyl-4,4-dimethyl-1-(3-methylthiophen-2-yl)pentan-3-amine?
N-ethyl-4,4-dimethyl-1-(3-methylthiophen-2-yl)pentan-3-amine has a molecular weight of 239.43 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4,4-dimethyl-1-(3-methylthiophen-2-yl)pentan-3-amine is sourced from PubChem (CID 79994930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).