N,2-dimethyl-2-(thiophen-3-ylmethyl)but-3-en-1-amine

C11H17NS — CID 102640556

IUPACN,2-dimethyl-2-(thiophen-3-ylmethyl)but-3-en-1-amine
SMILESC=CC(C)(CNC)Cc1ccsc1
InChIInChI=1S/C11H17NS/c1-4-11(2,9-12-3)7-10-5-6-13-8-10/h4-6,8,12H,1,7,9H2,2-3H3
InChIKeyJYQLXPRGMZHUQC-UHFFFAOYSA-N
MW195.33 g/mol
LogP2.70
Rot. Bonds5

About N,2-dimethyl-2-(thiophen-3-ylmethyl)but-3-en-1-amine

N,2-dimethyl-2-(thiophen-3-ylmethyl)but-3-en-1-amine (PubChem CID 102640556) has the molecular formula C11H17NS and a molecular weight of 195.33 g/mol. Its IUPAC name is N,2-dimethyl-2-(thiophen-3-ylmethyl)but-3-en-1-amine.

Molecular Properties

Compound NameN,2-dimethyl-2-(thiophen-3-ylmethyl)but-3-en-1-amine
PubChem CID102640556
Molecular FormulaC11H17NS
Molecular Weight195.33 g/mol
Exact Mass195.11
IUPAC NameN,2-dimethyl-2-(thiophen-3-ylmethyl)but-3-en-1-amine
SMILESC=CC(C)(CNC)Cc1ccsc1
InChIInChI=1S/C11H17NS/c1-4-11(2,9-12-3)7-10-5-6-13-8-10/h4-6,8,12H,1,7,9H2,2-3H3
InChIKeyJYQLXPRGMZHUQC-UHFFFAOYSA-N
XLogP2.70
TPSA12.03 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 ≤ 52.70
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

2-methyl-1-(methylamino)-3-thiophen-3-ylpropan-2-ol
CID 66038642
2-methyl-N-propyl-2-(2-thiophen-3-ylethyl)but-3-en-1-amine
CID 102640854
2-[(3-chlorophenyl)methyl]-N,2-dimethylbut-3-en-1-amine
CID 102640481
3-[3-(bromomethyl)-3-methylpent-4-enyl]thiophene
CID 102642270
N-tert-butyl-2,2-dimethyl-3-thiophen-3-ylpropan-1-amine
CID 62724141
2-ethyl-N-methyl-2-(thiophen-3-ylmethyl)hexan-1-amine
CID 62723225
2-methyl-1-(propylamino)-3-thiophen-3-ylpropan-2-ol
CID 66037007
2-[(2,4-difluorophenyl)methyl]-N,2-dimethylbut-3-en-1-amine
CID 102640578
3-[3-bromo-2-(bromomethyl)-2-methylpropyl]thiophene
CID 79453790
methyl (2R)-2-amino-2-methyl-3-thiophen-3-ylpropanoate
CID 164676208
N,2-dimethyl-2-(2-phenylmethoxyethyl)but-3-en-1-amine
CID 130537187
N,2-dimethyl-2-[(1-propan-2-ylpyrazol-3-yl)methyl]but-3-en-1-amine
CID 102640558

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-2-(thiophen-3-ylmethyl)but-3-en-1-amine?
The IUPAC name of N,2-dimethyl-2-(thiophen-3-ylmethyl)but-3-en-1-amine (CID 102640556) is N,2-dimethyl-2-(thiophen-3-ylmethyl)but-3-en-1-amine.
What is the SMILES notation for N,2-dimethyl-2-(thiophen-3-ylmethyl)but-3-en-1-amine?
The canonical SMILES for N,2-dimethyl-2-(thiophen-3-ylmethyl)but-3-en-1-amine is C=CC(C)(CNC)Cc1ccsc1.
What is the InChIKey of N,2-dimethyl-2-(thiophen-3-ylmethyl)but-3-en-1-amine?
The InChIKey is JYQLXPRGMZHUQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NS/c1-4-11(2,9-12-3)7-10-5-6-13-8-10/h4-6,8,12H,1,7,9H2,2-3H3.
What are the key properties of N,2-dimethyl-2-(thiophen-3-ylmethyl)but-3-en-1-amine?
N,2-dimethyl-2-(thiophen-3-ylmethyl)but-3-en-1-amine has a molecular weight of 195.33 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-2-(thiophen-3-ylmethyl)but-3-en-1-amine is sourced from PubChem (CID 102640556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).