5-methyl-1-thiophen-2-ylhex-5-en-2-amine

C11H17NS — CID 114474492

IUPAC5-methyl-1-thiophen-2-ylhex-5-en-2-amine
SMILESC=C(C)CCC(N)Cc1cccs1
InChIInChI=1S/C11H17NS/c1-9(2)5-6-10(12)8-11-4-3-7-13-11/h3-4,7,10H,1,5-6,8,12H2,2H3
InChIKeyLIMTYSWZTMNOGR-UHFFFAOYSA-N
MW195.33 g/mol
LogP2.97
Rot. Bonds5

About 5-methyl-1-thiophen-2-ylhex-5-en-2-amine

5-methyl-1-thiophen-2-ylhex-5-en-2-amine (PubChem CID 114474492) has the molecular formula C11H17NS and a molecular weight of 195.33 g/mol. Its IUPAC name is 5-methyl-1-thiophen-2-ylhex-5-en-2-amine.

Molecular Properties

Compound Name5-methyl-1-thiophen-2-ylhex-5-en-2-amine
PubChem CID114474492
Molecular FormulaC11H17NS
Molecular Weight195.33 g/mol
Exact Mass195.11
IUPAC Name5-methyl-1-thiophen-2-ylhex-5-en-2-amine
SMILESC=C(C)CCC(N)Cc1cccs1
InChIInChI=1S/C11H17NS/c1-9(2)5-6-10(12)8-11-4-3-7-13-11/h3-4,7,10H,1,5-6,8,12H2,2H3
InChIKeyLIMTYSWZTMNOGR-UHFFFAOYSA-N
XLogP2.97
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.33
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5,5-dimethyl-1-thiophen-2-ylhexan-2-amine
CID 62604909
1-thiophen-2-yltridecan-2-amine
CID 65428259
(7-methyl-1-thiophen-2-yloct-7-en-4-yl)hydrazine
CID 105335936
(2S)-1-methoxy-3-thiophen-2-ylpropan-2-amine
CID 94868216
1-propan-2-yloxy-3-thiophen-2-ylpropan-2-amine
CID 79574491
methyl (3R)-3-amino-4-thiophen-2-ylbutanoate
CID 141263920
4-(2-methylpyrazol-3-yl)-1-thiophen-2-ylbutan-2-amine
CID 103009775
1-tert-butylsulfanyl-3-thiophen-2-ylpropan-2-amine
CID 65132598
ethane;(2S)-1-methoxy-3-thiophen-2-ylpropan-2-amine;molecular hydrogen
CID 177035877
4-amino-1-thiophen-2-ylbutan-2-ol
CID 71778098
(3R)-3-methyl-4-thiophen-2-ylbutan-2-one
CID 59063213
4-methyl-5-thiophen-2-ylpentan-2-amine
CID 64721186

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-thiophen-2-ylhex-5-en-2-amine?
The IUPAC name of 5-methyl-1-thiophen-2-ylhex-5-en-2-amine (CID 114474492) is 5-methyl-1-thiophen-2-ylhex-5-en-2-amine.
What is the SMILES notation for 5-methyl-1-thiophen-2-ylhex-5-en-2-amine?
The canonical SMILES for 5-methyl-1-thiophen-2-ylhex-5-en-2-amine is C=C(C)CCC(N)Cc1cccs1.
What is the InChIKey of 5-methyl-1-thiophen-2-ylhex-5-en-2-amine?
The InChIKey is LIMTYSWZTMNOGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NS/c1-9(2)5-6-10(12)8-11-4-3-7-13-11/h3-4,7,10H,1,5-6,8,12H2,2H3.
What are the key properties of 5-methyl-1-thiophen-2-ylhex-5-en-2-amine?
5-methyl-1-thiophen-2-ylhex-5-en-2-amine has a molecular weight of 195.33 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-thiophen-2-ylhex-5-en-2-amine is sourced from PubChem (CID 114474492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).