N,3-dimethyl-1-thiophen-2-ylhexan-2-amine

C12H21NS — CID 61064795

IUPACN,3-dimethyl-1-thiophen-2-ylhexan-2-amine
SMILESCCCC(C)C(Cc1cccs1)NC
InChIInChI=1S/C12H21NS/c1-4-6-10(2)12(13-3)9-11-7-5-8-14-11/h5,7-8,10,12-13H,4,6,9H2,1-3H3
InChIKeyOTCDNJCKXWQXJV-UHFFFAOYSA-N
MW211.37 g/mol
LogP3.31
Rot. Bonds6

About N,3-dimethyl-1-thiophen-2-ylhexan-2-amine

N,3-dimethyl-1-thiophen-2-ylhexan-2-amine (PubChem CID 61064795) has the molecular formula C12H21NS and a molecular weight of 211.37 g/mol. Its IUPAC name is N,3-dimethyl-1-thiophen-2-ylhexan-2-amine.

Molecular Properties

Compound NameN,3-dimethyl-1-thiophen-2-ylhexan-2-amine
PubChem CID61064795
Molecular FormulaC12H21NS
Molecular Weight211.37 g/mol
Exact Mass211.14
IUPAC NameN,3-dimethyl-1-thiophen-2-ylhexan-2-amine
SMILESCCCC(C)C(Cc1cccs1)NC
InChIInChI=1S/C12H21NS/c1-4-6-10(2)12(13-3)9-11-7-5-8-14-11/h5,7-8,10,12-13H,4,6,9H2,1-3H3
InChIKeyOTCDNJCKXWQXJV-UHFFFAOYSA-N
XLogP3.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.37
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-1-thiophen-2-ylhexan-2-amine
CID 61078853
N-methyl-1-thiophen-2-yltetradecan-2-amine
CID 63416157
1-ethoxy-N-methyl-1-phenyl-3-thiophen-2-ylpropan-2-amine
CID 116773547
1-N,2-N-dimethyl-2-N-(1-thiophen-2-ylpropan-2-yl)pentane-1,2-diamine
CID 83054060
N-propyl-1-thiophen-2-ylpropan-2-amine
CID 43692824
(2S)-N-methyl-4-thiophen-2-ylbutan-2-amine
CID 42077642
3-methyl-1-thiophen-2-ylpentan-2-amine
CID 61079599
2-(2-bromo-3-methylpentyl)thiophene
CID 63017436
N-(1-thiophen-2-ylpropan-2-yl)nonan-2-amine
CID 43692705
N-propan-2-yl-1-thiophen-2-ylpropan-2-amine
CID 15162973
2-methyl-N-propyl-6-thiophen-2-ylhexan-3-amine
CID 63775526
2-N-methyl-2-N-(1-thiophen-2-ylpropan-2-yl)pentane-1,2-diamine
CID 79476562

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-1-thiophen-2-ylhexan-2-amine?
The IUPAC name of N,3-dimethyl-1-thiophen-2-ylhexan-2-amine (CID 61064795) is N,3-dimethyl-1-thiophen-2-ylhexan-2-amine.
What is the SMILES notation for N,3-dimethyl-1-thiophen-2-ylhexan-2-amine?
The canonical SMILES for N,3-dimethyl-1-thiophen-2-ylhexan-2-amine is CCCC(C)C(Cc1cccs1)NC.
What is the InChIKey of N,3-dimethyl-1-thiophen-2-ylhexan-2-amine?
The InChIKey is OTCDNJCKXWQXJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NS/c1-4-6-10(2)12(13-3)9-11-7-5-8-14-11/h5,7-8,10,12-13H,4,6,9H2,1-3H3.
What are the key properties of N,3-dimethyl-1-thiophen-2-ylhexan-2-amine?
N,3-dimethyl-1-thiophen-2-ylhexan-2-amine has a molecular weight of 211.37 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-1-thiophen-2-ylhexan-2-amine is sourced from PubChem (CID 61064795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).