1-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine

C17H32N2S — CID 43096436

IUPAC1-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine
SMILESCCC(CC)C(CNC(C)c1cc(C)sc1C)N(C)C
InChIInChI=1S/C17H32N2S/c1-8-15(9-2)17(19(6)7)11-18-13(4)16-10-12(3)20-14(16)5/h10,13,15,17-18H,8-9,11H2,1-7H3
InChIKeyFMSRMWAAZUOFLJ-UHFFFAOYSA-N
MW296.52 g/mol
LogP4.38
Rot. Bonds8

About 1-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine

1-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine (PubChem CID 43096436) has the molecular formula C17H32N2S and a molecular weight of 296.52 g/mol. Its IUPAC name is 1-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine.

Molecular Properties

Compound Name1-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine
PubChem CID43096436
Molecular FormulaC17H32N2S
Molecular Weight296.52 g/mol
Exact Mass296.23
IUPAC Name1-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine
SMILESCCC(CC)C(CNC(C)c1cc(C)sc1C)N(C)C
InChIInChI=1S/C17H32N2S/c1-8-15(9-2)17(19(6)7)11-18-13(4)16-10-12(3)20-14(16)5/h10,13,15,17-18H,8-9,11H2,1-7H3
InChIKeyFMSRMWAAZUOFLJ-UHFFFAOYSA-N
XLogP4.38
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.52
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine with MolForge

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Related Compounds

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]propan-1-amine
CID 43200455
1-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-3-ethoxypropan-2-ol
CID 63931939
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-N',N'-diethylethane-1,2-diamine
CID 43201220
1-N-[1-(4-bromo-2-chlorophenyl)ethyl]-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine
CID 82776337
1-(2,5-dimethylthiophen-3-yl)-N-(2-methoxyethyl)ethanamine
CID 43200659
3-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-1,1,1-trifluoropropan-2-ol
CID 63902098
1-[[1-(2,5-dimethylthiophen-3-yl)ethylamino]methyl]-N,N-dimethylcyclopentan-1-amine
CID 81300272
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2,2,2-trifluoroethanamine
CID 43200476
1-N-[1-(3-chlorophenyl)ethyl]-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine
CID 43107194
3-ethyl-1-N-[1-(furan-2-yl)ethyl]-2-N,2-N-dimethylpentane-1,2-diamine
CID 43208007
1-(2,5-dimethylthiophen-3-yl)-N-(oxan-4-ylmethyl)ethanamine
CID 62386041

Frequently Asked Questions

What is the IUPAC name of 1-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine?
The IUPAC name of 1-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine (CID 43096436) is 1-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine.
What is the SMILES notation for 1-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine?
The canonical SMILES for 1-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine is CCC(CC)C(CNC(C)c1cc(C)sc1C)N(C)C.
What is the InChIKey of 1-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine?
The InChIKey is FMSRMWAAZUOFLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2S/c1-8-15(9-2)17(19(6)7)11-18-13(4)16-10-12(3)20-14(16)5/h10,13,15,17-18H,8-9,11H2,1-7H3.
What are the key properties of 1-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine?
1-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine has a molecular weight of 296.52 g/mol, XLogP of 4.38, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine is sourced from PubChem (CID 43096436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).