3-methyl-N-(1-thiophen-3-ylpropan-2-yl)but-3-en-1-amine

C12H19NS — CID 114472154

IUPAC3-methyl-N-(1-thiophen-3-ylpropan-2-yl)but-3-en-1-amine
SMILESC=C(C)CCNC(C)Cc1ccsc1
InChIInChI=1S/C12H19NS/c1-10(2)4-6-13-11(3)8-12-5-7-14-9-12/h5,7,9,11,13H,1,4,6,8H2,2-3H3
InChIKeyWFASPCPYRYPNAS-UHFFFAOYSA-N
MW209.36 g/mol
LogP3.23
Rot. Bonds6

About 3-methyl-N-(1-thiophen-3-ylpropan-2-yl)but-3-en-1-amine

3-methyl-N-(1-thiophen-3-ylpropan-2-yl)but-3-en-1-amine (PubChem CID 114472154) has the molecular formula C12H19NS and a molecular weight of 209.36 g/mol. Its IUPAC name is 3-methyl-N-(1-thiophen-3-ylpropan-2-yl)but-3-en-1-amine.

Molecular Properties

Compound Name3-methyl-N-(1-thiophen-3-ylpropan-2-yl)but-3-en-1-amine
PubChem CID114472154
Molecular FormulaC12H19NS
Molecular Weight209.36 g/mol
Exact Mass209.12
IUPAC Name3-methyl-N-(1-thiophen-3-ylpropan-2-yl)but-3-en-1-amine
SMILESC=C(C)CCNC(C)Cc1ccsc1
InChIInChI=1S/C12H19NS/c1-10(2)4-6-13-11(3)8-12-5-7-14-9-12/h5,7,9,11,13H,1,4,6,8H2,2-3H3
InChIKeyWFASPCPYRYPNAS-UHFFFAOYSA-N
XLogP3.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.36
LogP ≤ 53.23
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-(2-fluoroethyl)-1-thiophen-3-ylpropan-2-amine
CID 80694035
6-(1-thiophen-3-ylpropan-2-ylamino)hexan-1-ol
CID 115906776
N-[2-(3-methylbutoxy)ethyl]-1-thiophen-3-ylpropan-2-amine
CID 54956098
N'-methyl-N'-propan-2-yl-N-(1-thiophen-3-ylpropan-2-yl)ethane-1,2-diamine
CID 115715971
3-(propan-2-ylamino)-N-(1-thiophen-3-ylpropan-2-yl)propanamide
CID 54953742
(E)-N-(1-thiophen-3-ylpropan-2-yl)but-2-en-1-amine
CID 107898855
2,3-dichloro-N-(1-thiophen-3-ylpropan-2-yl)prop-2-en-1-amine
CID 79168411
methyl 2-acetamido-3-(1-thiophen-3-ylpropan-2-ylamino)propanoate
CID 103246488
N-methyl-N-propan-2-yl-2-(1-thiophen-3-ylpropan-2-ylamino)acetamide
CID 54953332
N-[2-(1,3-thiazol-4-yl)ethyl]-1-thiophen-3-ylpropan-2-amine
CID 115731927
1-[(1-thiophen-3-ylpropan-2-ylamino)methyl]cyclohexan-1-ol
CID 54952846
2-(1-thiophen-3-ylpropan-2-ylamino)propan-1-ol
CID 115724718

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(1-thiophen-3-ylpropan-2-yl)but-3-en-1-amine?
The IUPAC name of 3-methyl-N-(1-thiophen-3-ylpropan-2-yl)but-3-en-1-amine (CID 114472154) is 3-methyl-N-(1-thiophen-3-ylpropan-2-yl)but-3-en-1-amine.
What is the SMILES notation for 3-methyl-N-(1-thiophen-3-ylpropan-2-yl)but-3-en-1-amine?
The canonical SMILES for 3-methyl-N-(1-thiophen-3-ylpropan-2-yl)but-3-en-1-amine is C=C(C)CCNC(C)Cc1ccsc1.
What is the InChIKey of 3-methyl-N-(1-thiophen-3-ylpropan-2-yl)but-3-en-1-amine?
The InChIKey is WFASPCPYRYPNAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NS/c1-10(2)4-6-13-11(3)8-12-5-7-14-9-12/h5,7,9,11,13H,1,4,6,8H2,2-3H3.
What are the key properties of 3-methyl-N-(1-thiophen-3-ylpropan-2-yl)but-3-en-1-amine?
3-methyl-N-(1-thiophen-3-ylpropan-2-yl)but-3-en-1-amine has a molecular weight of 209.36 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(1-thiophen-3-ylpropan-2-yl)but-3-en-1-amine is sourced from PubChem (CID 114472154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).