5,5-dimethyl-1-thiophen-2-ylhexan-2-amine

C12H21NS — CID 62604909

IUPAC5,5-dimethyl-1-thiophen-2-ylhexan-2-amine
SMILESCC(C)(C)CCC(N)Cc1cccs1
InChIInChI=1S/C12H21NS/c1-12(2,3)7-6-10(13)9-11-5-4-8-14-11/h4-5,8,10H,6-7,9,13H2,1-3H3
InChIKeyXGYWYDRYCXNKIR-UHFFFAOYSA-N
MW211.37 g/mol
LogP3.44
Rot. Bonds4

About 5,5-dimethyl-1-thiophen-2-ylhexan-2-amine

5,5-dimethyl-1-thiophen-2-ylhexan-2-amine (PubChem CID 62604909) has the molecular formula C12H21NS and a molecular weight of 211.37 g/mol. Its IUPAC name is 5,5-dimethyl-1-thiophen-2-ylhexan-2-amine.

Molecular Properties

Compound Name5,5-dimethyl-1-thiophen-2-ylhexan-2-amine
PubChem CID62604909
Molecular FormulaC12H21NS
Molecular Weight211.37 g/mol
Exact Mass211.14
IUPAC Name5,5-dimethyl-1-thiophen-2-ylhexan-2-amine
SMILESCC(C)(C)CCC(N)Cc1cccs1
InChIInChI=1S/C12H21NS/c1-12(2,3)7-6-10(13)9-11-5-4-8-14-11/h4-5,8,10H,6-7,9,13H2,1-3H3
InChIKeyXGYWYDRYCXNKIR-UHFFFAOYSA-N
XLogP3.44
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.37
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-methyl-1-thiophen-2-ylhex-5-en-2-amine
CID 114474492
1-thiophen-2-yltridecan-2-amine
CID 65428259
1-tert-butylsulfanyl-3-thiophen-2-ylpropan-2-amine
CID 65132598
(2S)-1-methoxy-3-thiophen-2-ylpropan-2-amine
CID 94868216
1-propan-2-yloxy-3-thiophen-2-ylpropan-2-amine
CID 79574491
(5-methoxy-5-methyl-1-thiophen-2-ylhexan-2-yl)hydrazine
CID 103026513
4-(2-methylpyrazol-3-yl)-1-thiophen-2-ylbutan-2-amine
CID 103009775
3-methyl-3-phenyl-1-thiophen-2-ylbutan-2-amine
CID 63085723
ethane;(2S)-1-methoxy-3-thiophen-2-ylpropan-2-amine;molecular hydrogen
CID 177035877
4-methyl-5-thiophen-2-ylpentan-2-amine
CID 64721186
3-methyl-1-thiophen-2-ylpentan-2-amine
CID 61079599
methyl (3R)-3-amino-4-thiophen-2-ylbutanoate
CID 141263920

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-1-thiophen-2-ylhexan-2-amine?
The IUPAC name of 5,5-dimethyl-1-thiophen-2-ylhexan-2-amine (CID 62604909) is 5,5-dimethyl-1-thiophen-2-ylhexan-2-amine.
What is the SMILES notation for 5,5-dimethyl-1-thiophen-2-ylhexan-2-amine?
The canonical SMILES for 5,5-dimethyl-1-thiophen-2-ylhexan-2-amine is CC(C)(C)CCC(N)Cc1cccs1.
What is the InChIKey of 5,5-dimethyl-1-thiophen-2-ylhexan-2-amine?
The InChIKey is XGYWYDRYCXNKIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NS/c1-12(2,3)7-6-10(13)9-11-5-4-8-14-11/h4-5,8,10H,6-7,9,13H2,1-3H3.
What are the key properties of 5,5-dimethyl-1-thiophen-2-ylhexan-2-amine?
5,5-dimethyl-1-thiophen-2-ylhexan-2-amine has a molecular weight of 211.37 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-1-thiophen-2-ylhexan-2-amine is sourced from PubChem (CID 62604909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).