N,2-dimethyl-2-(thiophen-2-ylmethyl)butan-1-amine

C11H19NS — CID 62725876

IUPACN,2-dimethyl-2-(thiophen-2-ylmethyl)butan-1-amine
SMILESCCC(C)(CNC)Cc1cccs1
InChIInChI=1S/C11H19NS/c1-4-11(2,9-12-3)8-10-6-5-7-13-10/h5-7,12H,4,8-9H2,1-3H3
InChIKeyFKIVUWQGEHRFSU-UHFFFAOYSA-N
MW197.35 g/mol
LogP2.93
Rot. Bonds5

About N,2-dimethyl-2-(thiophen-2-ylmethyl)butan-1-amine

N,2-dimethyl-2-(thiophen-2-ylmethyl)butan-1-amine (PubChem CID 62725876) has the molecular formula C11H19NS and a molecular weight of 197.35 g/mol. Its IUPAC name is N,2-dimethyl-2-(thiophen-2-ylmethyl)butan-1-amine.

Molecular Properties

Compound NameN,2-dimethyl-2-(thiophen-2-ylmethyl)butan-1-amine
PubChem CID62725876
Molecular FormulaC11H19NS
Molecular Weight197.35 g/mol
Exact Mass197.12
IUPAC NameN,2-dimethyl-2-(thiophen-2-ylmethyl)butan-1-amine
SMILESCCC(C)(CNC)Cc1cccs1
InChIInChI=1S/C11H19NS/c1-4-11(2,9-12-3)8-10-6-5-7-13-10/h5-7,12H,4,8-9H2,1-3H3
InChIKeyFKIVUWQGEHRFSU-UHFFFAOYSA-N
XLogP2.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.35
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-2-phenyl-2-(thiophen-2-ylmethyl)butan-1-amine
CID 55107089
N,N',2-trimethyl-2-propyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 55051533
2-methyl-N-propan-2-yl-2-(thiophen-2-ylmethyl)pentan-1-amine
CID 62725024
2-methyl-1-thiophen-2-ylpropan-2-amine
CID 13096683
2-[2-(chloromethyl)-2-methylpentyl]thiophene
CID 66035583
N-[2-methyl-2-(thiophen-2-ylmethyl)pentyl]cyclopropanamine
CID 62724017
2-[2,2-bis(bromomethyl)butyl]thiophene
CID 79456515
2,2-diethyl-N,N'-dimethyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 62258016
2-ethyl-N-methyl-2-(2-thiophen-2-ylethyl)hexan-1-amine
CID 63773571
N-[2-ethyl-2-(thiophen-2-ylmethyl)butyl]cyclopropanamine
CID 62723656
N-ethyl-2-phenyl-2-(thiophen-2-ylmethyl)butan-1-amine
CID 62724684
N,4,4-trimethyl-5-thiophen-2-ylpentan-2-amine
CID 64718072

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-2-(thiophen-2-ylmethyl)butan-1-amine?
The IUPAC name of N,2-dimethyl-2-(thiophen-2-ylmethyl)butan-1-amine (CID 62725876) is N,2-dimethyl-2-(thiophen-2-ylmethyl)butan-1-amine.
What is the SMILES notation for N,2-dimethyl-2-(thiophen-2-ylmethyl)butan-1-amine?
The canonical SMILES for N,2-dimethyl-2-(thiophen-2-ylmethyl)butan-1-amine is CCC(C)(CNC)Cc1cccs1.
What is the InChIKey of N,2-dimethyl-2-(thiophen-2-ylmethyl)butan-1-amine?
The InChIKey is FKIVUWQGEHRFSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NS/c1-4-11(2,9-12-3)8-10-6-5-7-13-10/h5-7,12H,4,8-9H2,1-3H3.
What are the key properties of N,2-dimethyl-2-(thiophen-2-ylmethyl)butan-1-amine?
N,2-dimethyl-2-(thiophen-2-ylmethyl)butan-1-amine has a molecular weight of 197.35 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-2-(thiophen-2-ylmethyl)butan-1-amine is sourced from PubChem (CID 62725876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).