N,N-dimethyl-4-thiophen-2-ylbutan-1-amine

C10H17NS — CID 67930635

IUPACN,N-dimethyl-4-thiophen-2-ylbutan-1-amine
SMILESCN(C)CCCCc1cccs1
InChIInChI=1S/C10H17NS/c1-11(2)8-4-3-6-10-7-5-9-12-10/h5,7,9H,3-4,6,8H2,1-2H3
InChIKeyCEUONEDIRCEJCC-UHFFFAOYSA-N
MW183.32 g/mol
LogP2.63
Rot. Bonds5

About N,N-dimethyl-4-thiophen-2-ylbutan-1-amine

N,N-dimethyl-4-thiophen-2-ylbutan-1-amine (PubChem CID 67930635) has the molecular formula C10H17NS and a molecular weight of 183.32 g/mol. Its IUPAC name is N,N-dimethyl-4-thiophen-2-ylbutan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-4-thiophen-2-ylbutan-1-amine
PubChem CID67930635
Molecular FormulaC10H17NS
Molecular Weight183.32 g/mol
Exact Mass183.11
IUPAC NameN,N-dimethyl-4-thiophen-2-ylbutan-1-amine
SMILESCN(C)CCCCc1cccs1
InChIInChI=1S/C10H17NS/c1-11(2)8-4-3-6-10-7-5-9-12-10/h5,7,9H,3-4,6,8H2,1-2H3
InChIKeyCEUONEDIRCEJCC-UHFFFAOYSA-N
XLogP2.63
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.32
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethyl-2-thiophen-2-ylethanamine;hydrochloride
CID 19760547
20-thiophen-2-ylicosane-1-thiol
CID 15444594
ethane;2-pentylthiophene
CID 143883800
methane;2-undecylthiophene
CID 175504380
1-[4-[3-(dimethylamino)propanoyl]piperazin-1-yl]-5-thiophen-2-ylpentan-1-one
CID 110420377
N'-decyl-N,N-dimethyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 159085641
1-N,1-N-dimethyl-5-thiophen-2-ylpentane-1,3-diamine
CID 115346068
2-(4-fluorobutyl)thiophene
CID 67851736
N'-methyl-N'-(2-thiophen-2-ylethyl)heptane-1,7-diamine
CID 79488346
10-thiophen-2-yldecan-1-ol
CID 22992199
2-(5-chloropentyl)thiophene
CID 4912993
2-butylthiophene;methanamine
CID 143080300

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-thiophen-2-ylbutan-1-amine?
The IUPAC name of N,N-dimethyl-4-thiophen-2-ylbutan-1-amine (CID 67930635) is N,N-dimethyl-4-thiophen-2-ylbutan-1-amine.
What is the SMILES notation for N,N-dimethyl-4-thiophen-2-ylbutan-1-amine?
The canonical SMILES for N,N-dimethyl-4-thiophen-2-ylbutan-1-amine is CN(C)CCCCc1cccs1.
What is the InChIKey of N,N-dimethyl-4-thiophen-2-ylbutan-1-amine?
The InChIKey is CEUONEDIRCEJCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NS/c1-11(2)8-4-3-6-10-7-5-9-12-10/h5,7,9H,3-4,6,8H2,1-2H3.
What are the key properties of N,N-dimethyl-4-thiophen-2-ylbutan-1-amine?
N,N-dimethyl-4-thiophen-2-ylbutan-1-amine has a molecular weight of 183.32 g/mol, XLogP of 2.63, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-thiophen-2-ylbutan-1-amine is sourced from PubChem (CID 67930635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).