2-methyl-3-(thiophen-3-ylmethyl)pentan-3-amine

C11H19NS — CID 62622769

IUPAC2-methyl-3-(thiophen-3-ylmethyl)pentan-3-amine
SMILESCCC(N)(Cc1ccsc1)C(C)C
InChIInChI=1S/C11H19NS/c1-4-11(12,9(2)3)7-10-5-6-13-8-10/h5-6,8-9H,4,7,12H2,1-3H3
InChIKeyJRWYNRUFARLPIK-UHFFFAOYSA-N
MW197.35 g/mol
LogP3.05
Rot. Bonds4

About 2-methyl-3-(thiophen-3-ylmethyl)pentan-3-amine

2-methyl-3-(thiophen-3-ylmethyl)pentan-3-amine (PubChem CID 62622769) has the molecular formula C11H19NS and a molecular weight of 197.35 g/mol. Its IUPAC name is 2-methyl-3-(thiophen-3-ylmethyl)pentan-3-amine.

Molecular Properties

Compound Name2-methyl-3-(thiophen-3-ylmethyl)pentan-3-amine
PubChem CID62622769
Molecular FormulaC11H19NS
Molecular Weight197.35 g/mol
Exact Mass197.12
IUPAC Name2-methyl-3-(thiophen-3-ylmethyl)pentan-3-amine
SMILESCCC(N)(Cc1ccsc1)C(C)C
InChIInChI=1S/C11H19NS/c1-4-11(12,9(2)3)7-10-5-6-13-8-10/h5-6,8-9H,4,7,12H2,1-3H3
InChIKeyJRWYNRUFARLPIK-UHFFFAOYSA-N
XLogP3.05
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.35
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-(bromomethyl)-2-ethylbutyl]thiophene
CID 66050912
2-methyl-2-(thiophen-3-ylmethyl)butan-1-amine
CID 62723704
1-phenyl-2-(thiophen-3-ylmethyl)butan-2-amine
CID 79008468
2-ethyl-N-(2-methylpropyl)-2-(thiophen-3-ylmethyl)butan-1-amine
CID 55106895
3-[2,2-bis(bromomethyl)-4-methylpentyl]thiophene
CID 79453120
3-[3-bromo-2-(bromomethyl)-2-methylpropyl]thiophene
CID 79453790
3-ethyl-1-thiophen-3-ylheptan-3-amine
CID 65020365
2,3-dimethyl-2-(thiophen-3-ylmethyl)butanoic acid
CID 83148678
2-(4-bromophenyl)-1-thiophen-3-ylpropan-2-amine
CID 62622195
3-(5-bromohexyl)thiophene
CID 64506689
3-methyl-1-thiophen-3-ylbutan-2-ol
CID 62605936
2-methyl-3-thiophen-3-ylpropan-1-amine
CID 62505176

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(thiophen-3-ylmethyl)pentan-3-amine?
The IUPAC name of 2-methyl-3-(thiophen-3-ylmethyl)pentan-3-amine (CID 62622769) is 2-methyl-3-(thiophen-3-ylmethyl)pentan-3-amine.
What is the SMILES notation for 2-methyl-3-(thiophen-3-ylmethyl)pentan-3-amine?
The canonical SMILES for 2-methyl-3-(thiophen-3-ylmethyl)pentan-3-amine is CCC(N)(Cc1ccsc1)C(C)C.
What is the InChIKey of 2-methyl-3-(thiophen-3-ylmethyl)pentan-3-amine?
The InChIKey is JRWYNRUFARLPIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NS/c1-4-11(12,9(2)3)7-10-5-6-13-8-10/h5-6,8-9H,4,7,12H2,1-3H3.
What are the key properties of 2-methyl-3-(thiophen-3-ylmethyl)pentan-3-amine?
2-methyl-3-(thiophen-3-ylmethyl)pentan-3-amine has a molecular weight of 197.35 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(thiophen-3-ylmethyl)pentan-3-amine is sourced from PubChem (CID 62622769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).