N-ethyl-4-methyl-4-(3-methylthiophen-2-yl)pentan-2-amine

C13H23NS — CID 79995989

IUPACN-ethyl-4-methyl-4-(3-methylthiophen-2-yl)pentan-2-amine
SMILESCCNC(C)CC(C)(C)c1sccc1C
InChIInChI=1S/C13H23NS/c1-6-14-11(3)9-13(4,5)12-10(2)7-8-15-12/h7-8,11,14H,6,9H2,1-5H3
InChIKeyCQCOACYDSUZOEL-UHFFFAOYSA-N
MW225.40 g/mol
LogP3.72
Rot. Bonds5

About N-ethyl-4-methyl-4-(3-methylthiophen-2-yl)pentan-2-amine

N-ethyl-4-methyl-4-(3-methylthiophen-2-yl)pentan-2-amine (PubChem CID 79995989) has the molecular formula C13H23NS and a molecular weight of 225.40 g/mol. Its IUPAC name is N-ethyl-4-methyl-4-(3-methylthiophen-2-yl)pentan-2-amine.

Molecular Properties

Compound NameN-ethyl-4-methyl-4-(3-methylthiophen-2-yl)pentan-2-amine
PubChem CID79995989
Molecular FormulaC13H23NS
Molecular Weight225.40 g/mol
Exact Mass225.16
IUPAC NameN-ethyl-4-methyl-4-(3-methylthiophen-2-yl)pentan-2-amine
SMILESCCNC(C)CC(C)(C)c1sccc1C
InChIInChI=1S/C13H23NS/c1-6-14-11(3)9-13(4,5)12-10(2)7-8-15-12/h7-8,11,14H,6,9H2,1-5H3
InChIKeyCQCOACYDSUZOEL-UHFFFAOYSA-N
XLogP3.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.40
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3,4-dimethylphenyl)-N-ethyl-4-methylpentan-2-amine
CID 64715126
2-(1-bromo-2-methylpropan-2-yl)-3-methylthiophene
CID 83692596
4-(2,4-dimethylphenyl)-N-ethyl-4-methylpentan-2-amine
CID 64717224
(2S)-2-(3-methylthiophen-2-yl)butan-2-amine
CID 130055008
N-(2-chloroethyl)-2-methyl-2-(3-methylthiophen-2-yl)propan-1-amine
CID 115215359
2,2-dimethyl-N'-[2-methyl-2-(3-methylthiophen-2-yl)propyl]propane-1,3-diamine
CID 115200327
2-[[2-methyl-2-(3-methylthiophen-2-yl)propyl]amino]acetaldehyde
CID 115223622
N-ethyl-4-methyl-4-(4-propan-2-ylphenyl)pentan-2-amine
CID 64716808
N-ethyl-4,4-dimethyl-1-(3-methylthiophen-2-yl)pentan-3-amine
CID 79994930
1-[[2-methyl-2-(3-methylthiophen-2-yl)propyl]amino]propan-2-one
CID 115235349
N-ethyl-4-methyl-4-[2-(trifluoromethyl)phenyl]pentan-2-amine
CID 64715335
2-cyano-N-[2-methyl-2-(3-methylthiophen-2-yl)propyl]butanamide
CID 115188496

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methyl-4-(3-methylthiophen-2-yl)pentan-2-amine?
The IUPAC name of N-ethyl-4-methyl-4-(3-methylthiophen-2-yl)pentan-2-amine (CID 79995989) is N-ethyl-4-methyl-4-(3-methylthiophen-2-yl)pentan-2-amine.
What is the SMILES notation for N-ethyl-4-methyl-4-(3-methylthiophen-2-yl)pentan-2-amine?
The canonical SMILES for N-ethyl-4-methyl-4-(3-methylthiophen-2-yl)pentan-2-amine is CCNC(C)CC(C)(C)c1sccc1C.
What is the InChIKey of N-ethyl-4-methyl-4-(3-methylthiophen-2-yl)pentan-2-amine?
The InChIKey is CQCOACYDSUZOEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NS/c1-6-14-11(3)9-13(4,5)12-10(2)7-8-15-12/h7-8,11,14H,6,9H2,1-5H3.
What are the key properties of N-ethyl-4-methyl-4-(3-methylthiophen-2-yl)pentan-2-amine?
N-ethyl-4-methyl-4-(3-methylthiophen-2-yl)pentan-2-amine has a molecular weight of 225.40 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methyl-4-(3-methylthiophen-2-yl)pentan-2-amine is sourced from PubChem (CID 79995989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).