3-methyl-1-thiophen-2-ylhexan-2-amine

C11H19NS — CID 61078853

IUPAC3-methyl-1-thiophen-2-ylhexan-2-amine
SMILESCCCC(C)C(N)Cc1cccs1
InChIInChI=1S/C11H19NS/c1-3-5-9(2)11(12)8-10-6-4-7-13-10/h4,6-7,9,11H,3,5,8,12H2,1-2H3
InChIKeyPICLRDUWOYJEPM-UHFFFAOYSA-N
MW197.35 g/mol
LogP3.05
Rot. Bonds5

About 3-methyl-1-thiophen-2-ylhexan-2-amine

3-methyl-1-thiophen-2-ylhexan-2-amine (PubChem CID 61078853) has the molecular formula C11H19NS and a molecular weight of 197.35 g/mol. Its IUPAC name is 3-methyl-1-thiophen-2-ylhexan-2-amine.

Molecular Properties

Compound Name3-methyl-1-thiophen-2-ylhexan-2-amine
PubChem CID61078853
Molecular FormulaC11H19NS
Molecular Weight197.35 g/mol
Exact Mass197.12
IUPAC Name3-methyl-1-thiophen-2-ylhexan-2-amine
SMILESCCCC(C)C(N)Cc1cccs1
InChIInChI=1S/C11H19NS/c1-3-5-9(2)11(12)8-10-6-4-7-13-10/h4,6-7,9,11H,3,5,8,12H2,1-2H3
InChIKeyPICLRDUWOYJEPM-UHFFFAOYSA-N
XLogP3.05
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.35
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-1-thiophen-2-ylpentan-2-amine
CID 61079599
N,3-dimethyl-1-thiophen-2-ylhexan-2-amine
CID 61064795
1-thiophen-2-yltridecan-2-amine
CID 65428259
1,1-dimethoxy-3-thiophen-2-ylpropan-2-amine
CID 79492317
3-methoxy-1-thiophen-2-ylpentan-2-amine
CID 116715036
2-N-methyl-2-N-(1-thiophen-2-ylpropan-2-yl)pentane-1,2-diamine
CID 79476562
4-methyl-5-thiophen-2-ylpentan-2-amine
CID 64721186
2-N,3-dimethyl-2-N-(2-thiophen-2-ylethyl)hexane-1,2-diamine
CID 79476641
2-(2-bromo-3-methylpentyl)thiophene
CID 63017436
N-propyl-1-thiophen-2-ylpropan-2-amine
CID 43692824
3-methyl-1-N-(thiophen-2-ylmethyl)pentane-1,2-diamine
CID 61150339
2-butylthiophene;methanamine
CID 143080300

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-thiophen-2-ylhexan-2-amine?
The IUPAC name of 3-methyl-1-thiophen-2-ylhexan-2-amine (CID 61078853) is 3-methyl-1-thiophen-2-ylhexan-2-amine.
What is the SMILES notation for 3-methyl-1-thiophen-2-ylhexan-2-amine?
The canonical SMILES for 3-methyl-1-thiophen-2-ylhexan-2-amine is CCCC(C)C(N)Cc1cccs1.
What is the InChIKey of 3-methyl-1-thiophen-2-ylhexan-2-amine?
The InChIKey is PICLRDUWOYJEPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NS/c1-3-5-9(2)11(12)8-10-6-4-7-13-10/h4,6-7,9,11H,3,5,8,12H2,1-2H3.
What are the key properties of 3-methyl-1-thiophen-2-ylhexan-2-amine?
3-methyl-1-thiophen-2-ylhexan-2-amine has a molecular weight of 197.35 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-thiophen-2-ylhexan-2-amine is sourced from PubChem (CID 61078853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).