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

C14H23NS — CID 102641460

IUPAC2-methyl-N-(2-methylpropyl)-2-(thiophen-2-ylmethyl)but-3-en-1-amine
SMILESC=CC(C)(CNCC(C)C)Cc1cccs1
InChIInChI=1S/C14H23NS/c1-5-14(4,11-15-10-12(2)3)9-13-7-6-8-16-13/h5-8,12,15H,1,9-11H2,2-4H3
InChIKeyZEDHOCZTBYYGNA-UHFFFAOYSA-N
MW237.41 g/mol
LogP3.73
Rot. Bonds7

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

2-methyl-N-(2-methylpropyl)-2-(thiophen-2-ylmethyl)but-3-en-1-amine (PubChem CID 102641460) has the molecular formula C14H23NS and a molecular weight of 237.41 g/mol. Its IUPAC name is 2-methyl-N-(2-methylpropyl)-2-(thiophen-2-ylmethyl)but-3-en-1-amine.

Molecular Properties

Compound Name2-methyl-N-(2-methylpropyl)-2-(thiophen-2-ylmethyl)but-3-en-1-amine
PubChem CID102641460
Molecular FormulaC14H23NS
Molecular Weight237.41 g/mol
Exact Mass237.16
IUPAC Name2-methyl-N-(2-methylpropyl)-2-(thiophen-2-ylmethyl)but-3-en-1-amine
SMILESC=CC(C)(CNCC(C)C)Cc1cccs1
InChIInChI=1S/C14H23NS/c1-5-14(4,11-15-10-12(2)3)9-13-7-6-8-16-13/h5-8,12,15H,1,9-11H2,2-4H3
InChIKeyZEDHOCZTBYYGNA-UHFFFAOYSA-N
XLogP3.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.41
LogP ≤ 53.73
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-ethyl-N-(2-methylpropyl)-2-(thiophen-2-ylmethyl)hexan-1-amine
CID 55197007
2,2-dimethyl-N-(2-methyl-3-thiophen-2-ylpropyl)propan-1-amine
CID 115655098
2-methyl-N-(2-methylpropyl)-2-(2-thiophen-2-ylethyl)pentan-1-amine
CID 55237684
2,2-diethyl-N-(2-methylpropyl)-4-thiophen-2-ylbutan-1-amine
CID 63773755
2-[(4-bromo-2-fluorophenyl)methyl]-2-methyl-N-(2-methylpropyl)but-3-en-1-amine
CID 102641463
N-tert-butyl-2-methyl-2-(2-thiophen-2-ylethyl)but-3-en-1-amine
CID 102641301
2-methyl-1-thiophen-2-ylpropan-2-amine
CID 13096683
2-methyl-N-(2-methylpropyl)-2-[(2-propyl-1,2,4-triazol-3-yl)methyl]but-3-en-1-amine
CID 102641469
3-methyl-N-(2-methylpropyl)-4-thiophen-2-ylbutan-1-amine
CID 81015336
N,4,4-trimethyl-5-thiophen-2-ylpentan-2-amine
CID 64718072
2,2,5-trimethyl-N-(thiophen-2-ylmethyl)hexan-3-amine
CID 115641765
3-methyl-N-(2-methylpropyl)-3-thiophen-2-ylbutan-1-amine
CID 79830202

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-methylpropyl)-2-(thiophen-2-ylmethyl)but-3-en-1-amine?
The IUPAC name of 2-methyl-N-(2-methylpropyl)-2-(thiophen-2-ylmethyl)but-3-en-1-amine (CID 102641460) is 2-methyl-N-(2-methylpropyl)-2-(thiophen-2-ylmethyl)but-3-en-1-amine.
What is the SMILES notation for 2-methyl-N-(2-methylpropyl)-2-(thiophen-2-ylmethyl)but-3-en-1-amine?
The canonical SMILES for 2-methyl-N-(2-methylpropyl)-2-(thiophen-2-ylmethyl)but-3-en-1-amine is C=CC(C)(CNCC(C)C)Cc1cccs1.
What is the InChIKey of 2-methyl-N-(2-methylpropyl)-2-(thiophen-2-ylmethyl)but-3-en-1-amine?
The InChIKey is ZEDHOCZTBYYGNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NS/c1-5-14(4,11-15-10-12(2)3)9-13-7-6-8-16-13/h5-8,12,15H,1,9-11H2,2-4H3.
What are the key properties of 2-methyl-N-(2-methylpropyl)-2-(thiophen-2-ylmethyl)but-3-en-1-amine?
2-methyl-N-(2-methylpropyl)-2-(thiophen-2-ylmethyl)but-3-en-1-amine has a molecular weight of 237.41 g/mol, XLogP of 3.73, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-methylpropyl)-2-(thiophen-2-ylmethyl)but-3-en-1-amine is sourced from PubChem (CID 102641460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).