2-methylidene-N-(1-thiophen-3-ylethyl)butan-1-amine

C11H17NS — CID 66046894

IUPAC2-methylidene-N-(1-thiophen-3-ylethyl)butan-1-amine
SMILESC=C(CC)CNC(C)c1ccsc1
InChIInChI=1S/C11H17NS/c1-4-9(2)7-12-10(3)11-5-6-13-8-11/h5-6,8,10,12H,2,4,7H2,1,3H3
InChIKeyXDEGZRDGNCTXCM-UHFFFAOYSA-N
MW195.33 g/mol
LogP3.36
Rot. Bonds5

About 2-methylidene-N-(1-thiophen-3-ylethyl)butan-1-amine

2-methylidene-N-(1-thiophen-3-ylethyl)butan-1-amine (PubChem CID 66046894) has the molecular formula C11H17NS and a molecular weight of 195.33 g/mol. Its IUPAC name is 2-methylidene-N-(1-thiophen-3-ylethyl)butan-1-amine.

Molecular Properties

Compound Name2-methylidene-N-(1-thiophen-3-ylethyl)butan-1-amine
PubChem CID66046894
Molecular FormulaC11H17NS
Molecular Weight195.33 g/mol
Exact Mass195.11
IUPAC Name2-methylidene-N-(1-thiophen-3-ylethyl)butan-1-amine
SMILESC=C(CC)CNC(C)c1ccsc1
InChIInChI=1S/C11H17NS/c1-4-9(2)7-12-10(3)11-5-6-13-8-11/h5-6,8,10,12H,2,4,7H2,1,3H3
InChIKeyXDEGZRDGNCTXCM-UHFFFAOYSA-N
XLogP3.36
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 ≤ 53.36
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

N-tert-butyl-2-(1-thiophen-3-ylethylamino)acetamide
CID 62842048
3-methylidene-1-thiophen-3-ylpentan-1-amine
CID 66044101
3-(1-thiophen-3-ylethylamino)propan-1-ol
CID 53274757
2,2-dimethyl-N-(1-thiophen-3-ylethyl)propan-1-amine
CID 62090002
N-(1-thiophen-3-ylethyl)decan-1-amine
CID 63491588
1-thiophen-3-yl-N-(1-thiophen-3-ylethyl)ethanamine
CID 14249916
N-[(4-iodophenyl)methyl]-1-thiophen-3-ylethanamine
CID 65479418
2-methylidene-N-[(1R)-1-(3-methylphenyl)ethyl]butan-1-amine
CID 81361301
4-[(1-thiophen-3-ylethylamino)methyl]benzene-1,2-diol
CID 62840100
(1S)-N-methyl-1-thiophen-3-ylethanamine
CID 92981912
N-(2-methoxyethyl)-1-thiophen-3-ylethanamine
CID 53274740
2-methylsulfanyl-N-(1-thiophen-3-ylethyl)propan-1-amine
CID 115895627

Frequently Asked Questions

What is the IUPAC name of 2-methylidene-N-(1-thiophen-3-ylethyl)butan-1-amine?
The IUPAC name of 2-methylidene-N-(1-thiophen-3-ylethyl)butan-1-amine (CID 66046894) is 2-methylidene-N-(1-thiophen-3-ylethyl)butan-1-amine.
What is the SMILES notation for 2-methylidene-N-(1-thiophen-3-ylethyl)butan-1-amine?
The canonical SMILES for 2-methylidene-N-(1-thiophen-3-ylethyl)butan-1-amine is C=C(CC)CNC(C)c1ccsc1.
What is the InChIKey of 2-methylidene-N-(1-thiophen-3-ylethyl)butan-1-amine?
The InChIKey is XDEGZRDGNCTXCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NS/c1-4-9(2)7-12-10(3)11-5-6-13-8-11/h5-6,8,10,12H,2,4,7H2,1,3H3.
What are the key properties of 2-methylidene-N-(1-thiophen-3-ylethyl)butan-1-amine?
2-methylidene-N-(1-thiophen-3-ylethyl)butan-1-amine has a molecular weight of 195.33 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-N-(1-thiophen-3-ylethyl)butan-1-amine is sourced from PubChem (CID 66046894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).