N,3,3-trimethyl-1-thiophen-3-ylbutan-1-amine

C11H19NS — CID 65105045

IUPACN,3,3-trimethyl-1-thiophen-3-ylbutan-1-amine
SMILESCNC(CC(C)(C)C)c1ccsc1
InChIInChI=1S/C11H19NS/c1-11(2,3)7-10(12-4)9-5-6-13-8-9/h5-6,8,10,12H,7H2,1-4H3
InChIKeyIXHFCLFUSOGEFW-UHFFFAOYSA-N
MW197.35 g/mol
LogP3.44
Rot. Bonds3

About N,3,3-trimethyl-1-thiophen-3-ylbutan-1-amine

N,3,3-trimethyl-1-thiophen-3-ylbutan-1-amine (PubChem CID 65105045) has the molecular formula C11H19NS and a molecular weight of 197.35 g/mol. Its IUPAC name is N,3,3-trimethyl-1-thiophen-3-ylbutan-1-amine.

Molecular Properties

Compound NameN,3,3-trimethyl-1-thiophen-3-ylbutan-1-amine
PubChem CID65105045
Molecular FormulaC11H19NS
Molecular Weight197.35 g/mol
Exact Mass197.12
IUPAC NameN,3,3-trimethyl-1-thiophen-3-ylbutan-1-amine
SMILESCNC(CC(C)(C)C)c1ccsc1
InChIInChI=1S/C11H19NS/c1-11(2,3)7-10(12-4)9-5-6-13-8-9/h5-6,8,10,12H,7H2,1-4H3
InChIKeyIXHFCLFUSOGEFW-UHFFFAOYSA-N
XLogP3.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.35
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-tert-butylsulfanyl-N-methyl-1-thiophen-3-ylethanamine
CID 65133054
N-methyl-1-thiophen-3-ylpent-4-yn-1-amine
CID 63656286
N-methyl-3-methylsulfanyl-1-thiophen-3-ylpropan-1-amine
CID 105154090
N,2,2-trimethyl-1-thiophen-3-ylpropan-1-amine
CID 62395733
N-methyl-1-thiophen-3-yl-2-[4-(trifluoromethyl)phenyl]ethanamine
CID 62114391
3-[(3S)-5,5-dimethylhex-1-en-3-yl]thiophene
CID 100973089
(1S)-N-methyl-1-thiophen-3-ylethanamine
CID 92981912
2-(furan-2-yl)-N-methyl-1-thiophen-3-ylethanamine
CID 83175693
2-(2-fluorophenyl)-N-methyl-1-thiophen-3-ylethanamine
CID 60820385
N-methyl-2-(thian-4-yl)-1-thiophen-3-ylethanamine
CID 105153997
1-(3,5-dimethylphenyl)-N,3,3-trimethylbutan-1-amine
CID 63890228
2,2-dimethyl-N-(1-thiophen-3-ylethyl)propan-1-amine
CID 62090002

Frequently Asked Questions

What is the IUPAC name of N,3,3-trimethyl-1-thiophen-3-ylbutan-1-amine?
The IUPAC name of N,3,3-trimethyl-1-thiophen-3-ylbutan-1-amine (CID 65105045) is N,3,3-trimethyl-1-thiophen-3-ylbutan-1-amine.
What is the SMILES notation for N,3,3-trimethyl-1-thiophen-3-ylbutan-1-amine?
The canonical SMILES for N,3,3-trimethyl-1-thiophen-3-ylbutan-1-amine is CNC(CC(C)(C)C)c1ccsc1.
What is the InChIKey of N,3,3-trimethyl-1-thiophen-3-ylbutan-1-amine?
The InChIKey is IXHFCLFUSOGEFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NS/c1-11(2,3)7-10(12-4)9-5-6-13-8-9/h5-6,8,10,12H,7H2,1-4H3.
What are the key properties of N,3,3-trimethyl-1-thiophen-3-ylbutan-1-amine?
N,3,3-trimethyl-1-thiophen-3-ylbutan-1-amine has a molecular weight of 197.35 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,3-trimethyl-1-thiophen-3-ylbutan-1-amine is sourced from PubChem (CID 65105045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).