3-methyl-N-(1-thiophen-3-ylethyl)pentan-3-amine

C12H21NS — CID 115920356

IUPAC3-methyl-N-(1-thiophen-3-ylethyl)pentan-3-amine
SMILESCCC(C)(CC)NC(C)c1ccsc1
InChIInChI=1S/C12H21NS/c1-5-12(4,6-2)13-10(3)11-7-8-14-9-11/h7-10,13H,5-6H2,1-4H3
InChIKeyBORNXEJKIQUQPK-UHFFFAOYSA-N
MW211.37 g/mol
LogP3.98
Rot. Bonds5

About 3-methyl-N-(1-thiophen-3-ylethyl)pentan-3-amine

3-methyl-N-(1-thiophen-3-ylethyl)pentan-3-amine (PubChem CID 115920356) has the molecular formula C12H21NS and a molecular weight of 211.37 g/mol. Its IUPAC name is 3-methyl-N-(1-thiophen-3-ylethyl)pentan-3-amine.

Molecular Properties

Compound Name3-methyl-N-(1-thiophen-3-ylethyl)pentan-3-amine
PubChem CID115920356
Molecular FormulaC12H21NS
Molecular Weight211.37 g/mol
Exact Mass211.14
IUPAC Name3-methyl-N-(1-thiophen-3-ylethyl)pentan-3-amine
SMILESCCC(C)(CC)NC(C)c1ccsc1
InChIInChI=1S/C12H21NS/c1-5-12(4,6-2)13-10(3)11-7-8-14-9-11/h7-10,13H,5-6H2,1-4H3
InChIKeyBORNXEJKIQUQPK-UHFFFAOYSA-N
XLogP3.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.37
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyl-N-(1-thiophen-3-ylethyl)propan-1-amine
CID 62090002
1-thiophen-3-yl-N-(1-thiophen-3-ylethyl)ethanamine
CID 14249916
3-(3-ethyl-3-methylpentan-2-yl)thiophene
CID 139314791
(1S)-N-methyl-1-thiophen-3-ylethanamine
CID 92981912
2-methyl-2-(1-thiophen-3-ylethylcarbamoylamino)pentanoic acid
CID 62843561
2-(tert-butylamino)-N-(1-thiophen-3-ylethyl)acetamide
CID 79257384
N-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1-thiophen-3-ylethanamine
CID 112568339
N-tert-butyl-2-(1-thiophen-3-ylethylamino)acetamide
CID 62842048
N-(1-thiophen-3-ylethyl)decan-1-amine
CID 63491588
2-methylidene-N-(1-thiophen-3-ylethyl)butan-1-amine
CID 66046894
2-[(2-methylpropan-2-yl)oxy]-N-(1-thiophen-3-ylethyl)acetamide
CID 112605150
4-propyl-N-(1-thiophen-3-ylethyl)cyclohexan-1-amine
CID 63454289

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(1-thiophen-3-ylethyl)pentan-3-amine?
The IUPAC name of 3-methyl-N-(1-thiophen-3-ylethyl)pentan-3-amine (CID 115920356) is 3-methyl-N-(1-thiophen-3-ylethyl)pentan-3-amine.
What is the SMILES notation for 3-methyl-N-(1-thiophen-3-ylethyl)pentan-3-amine?
The canonical SMILES for 3-methyl-N-(1-thiophen-3-ylethyl)pentan-3-amine is CCC(C)(CC)NC(C)c1ccsc1.
What is the InChIKey of 3-methyl-N-(1-thiophen-3-ylethyl)pentan-3-amine?
The InChIKey is BORNXEJKIQUQPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NS/c1-5-12(4,6-2)13-10(3)11-7-8-14-9-11/h7-10,13H,5-6H2,1-4H3.
What are the key properties of 3-methyl-N-(1-thiophen-3-ylethyl)pentan-3-amine?
3-methyl-N-(1-thiophen-3-ylethyl)pentan-3-amine has a molecular weight of 211.37 g/mol, XLogP of 3.98, 5 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-ylethyl)pentan-3-amine is sourced from PubChem (CID 115920356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).