N-[1-(2,5-dimethylthiophen-3-yl)ethyl]propan-1-amine

C11H19NS — CID 43200455

IUPACN-[1-(2,5-dimethylthiophen-3-yl)ethyl]propan-1-amine
SMILESCCCNC(C)c1cc(C)sc1C
InChIInChI=1S/C11H19NS/c1-5-6-12-9(3)11-7-8(2)13-10(11)4/h7,9,12H,5-6H2,1-4H3
InChIKeyKHNFCEMIXCCCMO-UHFFFAOYSA-N
MW197.35 g/mol
LogP3.43
Rot. Bonds4

About N-[1-(2,5-dimethylthiophen-3-yl)ethyl]propan-1-amine

N-[1-(2,5-dimethylthiophen-3-yl)ethyl]propan-1-amine (PubChem CID 43200455) has the molecular formula C11H19NS and a molecular weight of 197.35 g/mol. Its IUPAC name is N-[1-(2,5-dimethylthiophen-3-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(2,5-dimethylthiophen-3-yl)ethyl]propan-1-amine
PubChem CID43200455
Molecular FormulaC11H19NS
Molecular Weight197.35 g/mol
Exact Mass197.12
IUPAC NameN-[1-(2,5-dimethylthiophen-3-yl)ethyl]propan-1-amine
SMILESCCCNC(C)c1cc(C)sc1C
InChIInChI=1S/C11H19NS/c1-5-6-12-9(3)11-7-8(2)13-10(11)4/h7,9,12H,5-6H2,1-4H3
InChIKeyKHNFCEMIXCCCMO-UHFFFAOYSA-N
XLogP3.43
TPSA12.03 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 ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-N',N'-diethylethane-1,2-diamine
CID 43201220
1-(2,5-dimethylthiophen-3-yl)-N-(2-methoxyethyl)ethanamine
CID 43200659
1-(2,5-dimethylthiophen-3-yl)-2,2-dimethyl-N-propylpropan-1-amine
CID 43496846
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 55097419
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-methylsulfanylbutan-1-amine
CID 115716050
1-(2,5-dimethylthiophen-3-yl)-2,2,3,3,3-pentafluoro-N-propylpropan-1-amine
CID 43496834
4-[1-(2,5-dimethylthiophen-3-yl)ethylamino]butanoic acid
CID 60782598
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2,2,2-trifluoroethanamine
CID 43200476
2-cyclopropyl-1-(2,5-dimethylthiophen-3-yl)-N-propylpropan-1-amine
CID 83154785
5-[1-(2,5-dimethylthiophen-3-yl)ethylamino]pentanoic acid
CID 103244595
1-(2,5-dimethylthiophen-3-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]ethanamine
CID 54861135
4-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-1-methoxybutan-2-ol
CID 103906007

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethylthiophen-3-yl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(2,5-dimethylthiophen-3-yl)ethyl]propan-1-amine (CID 43200455) is N-[1-(2,5-dimethylthiophen-3-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(2,5-dimethylthiophen-3-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(2,5-dimethylthiophen-3-yl)ethyl]propan-1-amine is CCCNC(C)c1cc(C)sc1C.
What is the InChIKey of N-[1-(2,5-dimethylthiophen-3-yl)ethyl]propan-1-amine?
The InChIKey is KHNFCEMIXCCCMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NS/c1-5-6-12-9(3)11-7-8(2)13-10(11)4/h7,9,12H,5-6H2,1-4H3.
What are the key properties of N-[1-(2,5-dimethylthiophen-3-yl)ethyl]propan-1-amine?
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]propan-1-amine has a molecular weight of 197.35 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethylthiophen-3-yl)ethyl]propan-1-amine is sourced from PubChem (CID 43200455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).