2-methyl-2-(thiophen-3-ylmethyl)butan-1-amine

C10H17NS — CID 62723704

IUPAC2-methyl-2-(thiophen-3-ylmethyl)butan-1-amine
SMILESCCC(C)(CN)Cc1ccsc1
InChIInChI=1S/C10H17NS/c1-3-10(2,8-11)6-9-4-5-12-7-9/h4-5,7H,3,6,8,11H2,1-2H3
InChIKeyJEADVYXJVWCTRH-UHFFFAOYSA-N
MW183.32 g/mol
LogP2.67
Rot. Bonds4

About 2-methyl-2-(thiophen-3-ylmethyl)butan-1-amine

2-methyl-2-(thiophen-3-ylmethyl)butan-1-amine (PubChem CID 62723704) has the molecular formula C10H17NS and a molecular weight of 183.32 g/mol. Its IUPAC name is 2-methyl-2-(thiophen-3-ylmethyl)butan-1-amine.

Molecular Properties

Compound Name2-methyl-2-(thiophen-3-ylmethyl)butan-1-amine
PubChem CID62723704
Molecular FormulaC10H17NS
Molecular Weight183.32 g/mol
Exact Mass183.11
IUPAC Name2-methyl-2-(thiophen-3-ylmethyl)butan-1-amine
SMILESCCC(C)(CN)Cc1ccsc1
InChIInChI=1S/C10H17NS/c1-3-10(2,8-11)6-9-4-5-12-7-9/h4-5,7H,3,6,8,11H2,1-2H3
InChIKeyJEADVYXJVWCTRH-UHFFFAOYSA-N
XLogP2.67
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.32
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[3-bromo-2-(bromomethyl)-2-methylpropyl]thiophene
CID 79453790
2-methyl-3-(thiophen-3-ylmethyl)pentan-3-amine
CID 62622769
1-phenyl-2-(thiophen-3-ylmethyl)butan-2-amine
CID 79008468
3-[2-(bromomethyl)-2-ethylbutyl]thiophene
CID 66050912
3-ethyl-1-thiophen-3-ylheptan-3-amine
CID 65020365
3-amino-2,2-dimethyl-N-(2-thiophen-3-ylethyl)propanamide
CID 81489154
ethyl 2,2-dimethyl-3-thiophen-3-ylpropanoate
CID 176838352
2-methyl-2-thiophen-3-ylbutan-1-amine
CID 82412624
2-[(3,5-difluorophenyl)methyl]-2-methylbutan-1-amine
CID 105408136
2-methyl-1-(thiophen-3-ylmethylsulfonyl)propan-2-amine
CID 81189148
azane;3-propylthiophene
CID 174446539
3-ethoxy-3-methyl-1-thiophen-3-ylpentan-2-amine
CID 116758590

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(thiophen-3-ylmethyl)butan-1-amine?
The IUPAC name of 2-methyl-2-(thiophen-3-ylmethyl)butan-1-amine (CID 62723704) is 2-methyl-2-(thiophen-3-ylmethyl)butan-1-amine.
What is the SMILES notation for 2-methyl-2-(thiophen-3-ylmethyl)butan-1-amine?
The canonical SMILES for 2-methyl-2-(thiophen-3-ylmethyl)butan-1-amine is CCC(C)(CN)Cc1ccsc1.
What is the InChIKey of 2-methyl-2-(thiophen-3-ylmethyl)butan-1-amine?
The InChIKey is JEADVYXJVWCTRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NS/c1-3-10(2,8-11)6-9-4-5-12-7-9/h4-5,7H,3,6,8,11H2,1-2H3.
What are the key properties of 2-methyl-2-(thiophen-3-ylmethyl)butan-1-amine?
2-methyl-2-(thiophen-3-ylmethyl)butan-1-amine has a molecular weight of 183.32 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(thiophen-3-ylmethyl)butan-1-amine is sourced from PubChem (CID 62723704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).