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

C10H15NS — CID 54396811

IUPAC3-methyl-N-(thiophen-2-ylmethyl)but-2-en-1-amine
SMILESCC(C)=CCNCc1cccs1
InChIInChI=1S/C10H15NS/c1-9(2)5-6-11-8-10-4-3-7-12-10/h3-5,7,11H,6,8H2,1-2H3
InChIKeyVKOMHJQMHYGUPX-UHFFFAOYSA-N
MW181.30 g/mol
LogP2.80
Rot. Bonds4

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

3-methyl-N-(thiophen-2-ylmethyl)but-2-en-1-amine (PubChem CID 54396811) has the molecular formula C10H15NS and a molecular weight of 181.30 g/mol. Its IUPAC name is 3-methyl-N-(thiophen-2-ylmethyl)but-2-en-1-amine.

Molecular Properties

Compound Name3-methyl-N-(thiophen-2-ylmethyl)but-2-en-1-amine
PubChem CID54396811
Molecular FormulaC10H15NS
Molecular Weight181.30 g/mol
Exact Mass181.09
IUPAC Name3-methyl-N-(thiophen-2-ylmethyl)but-2-en-1-amine
SMILESCC(C)=CCNCc1cccs1
InChIInChI=1S/C10H15NS/c1-9(2)5-6-11-8-10-4-3-7-12-10/h3-5,7,11H,6,8H2,1-2H3
InChIKeyVKOMHJQMHYGUPX-UHFFFAOYSA-N
XLogP2.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.30
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-(thiophen-2-ylmethyl)prop-2-en-1-amine
CID 60690026
(Z)-3-chloro-2-methyl-N-(thiophen-2-ylmethyl)prop-2-en-1-amine
CID 106437449
N-[(5-bromothiophen-2-yl)methyl]-3-methylbut-2-en-1-amine
CID 103527779
(Z)-3-methyl-4-(thiophen-2-ylmethylamino)but-2-enoic acid
CID 103237384
2-[(3-methylbut-2-enylamino)methyl]thiophen-3-amine
CID 106181412
2,2-dimethyl-N-(thiophen-2-ylmethyl)propan-1-amine
CID 21304833
1-(3-methylbut-2-enyl)-N-(thiophen-2-ylmethyl)piperidin-4-amine
CID 43769320
2-methyl-4-(thiophen-2-ylmethylamino)butan-2-ol
CID 79359757
(2R)-4-(thiophen-2-ylmethylamino)butan-2-ol
CID 96500236
tert-butyl N-[(E)-4-(thiophen-2-ylmethylamino)but-2-enyl]carbamate
CID 107253094
2-(azetidin-3-ylidene)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 116679495
1-[2-(thiophen-2-ylmethylamino)ethylamino]propan-2-ol chloride
CID 53350890

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(thiophen-2-ylmethyl)but-2-en-1-amine?
The IUPAC name of 3-methyl-N-(thiophen-2-ylmethyl)but-2-en-1-amine (CID 54396811) is 3-methyl-N-(thiophen-2-ylmethyl)but-2-en-1-amine.
What is the SMILES notation for 3-methyl-N-(thiophen-2-ylmethyl)but-2-en-1-amine?
The canonical SMILES for 3-methyl-N-(thiophen-2-ylmethyl)but-2-en-1-amine is CC(C)=CCNCc1cccs1.
What is the InChIKey of 3-methyl-N-(thiophen-2-ylmethyl)but-2-en-1-amine?
The InChIKey is VKOMHJQMHYGUPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NS/c1-9(2)5-6-11-8-10-4-3-7-12-10/h3-5,7,11H,6,8H2,1-2H3.
What are the key properties of 3-methyl-N-(thiophen-2-ylmethyl)but-2-en-1-amine?
3-methyl-N-(thiophen-2-ylmethyl)but-2-en-1-amine has a molecular weight of 181.30 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(thiophen-2-ylmethyl)but-2-en-1-amine is sourced from PubChem (CID 54396811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).