1-(5-ethylthiophen-2-yl)-3-N,3-N,3-trimethyl-2-N-propylbutane-2,3-diamine

C16H30N2S — CID 79053636

IUPAC1-(5-ethylthiophen-2-yl)-3-N,3-N,3-trimethyl-2-N-propylbutane-2,3-diamine
SMILESCCCNC(Cc1ccc(CC)s1)C(C)(C)N(C)C
InChIInChI=1S/C16H30N2S/c1-7-11-17-15(16(3,4)18(5)6)12-14-10-9-13(8-2)19-14/h9-10,15,17H,7-8,11-12H2,1-6H3
InChIKeyPZEPFSADAXQMBJ-UHFFFAOYSA-N
MW282.50 g/mol
LogP3.56
Rot. Bonds8

About 1-(5-ethylthiophen-2-yl)-3-N,3-N,3-trimethyl-2-N-propylbutane-2,3-diamine

1-(5-ethylthiophen-2-yl)-3-N,3-N,3-trimethyl-2-N-propylbutane-2,3-diamine (PubChem CID 79053636) has the molecular formula C16H30N2S and a molecular weight of 282.50 g/mol. Its IUPAC name is 1-(5-ethylthiophen-2-yl)-3-N,3-N,3-trimethyl-2-N-propylbutane-2,3-diamine.

Molecular Properties

Compound Name1-(5-ethylthiophen-2-yl)-3-N,3-N,3-trimethyl-2-N-propylbutane-2,3-diamine
PubChem CID79053636
Molecular FormulaC16H30N2S
Molecular Weight282.50 g/mol
Exact Mass282.21
IUPAC Name1-(5-ethylthiophen-2-yl)-3-N,3-N,3-trimethyl-2-N-propylbutane-2,3-diamine
SMILESCCCNC(Cc1ccc(CC)s1)C(C)(C)N(C)C
InChIInChI=1S/C16H30N2S/c1-7-11-17-15(16(3,4)18(5)6)12-14-10-9-13(8-2)19-14/h9-10,15,17H,7-8,11-12H2,1-6H3
InChIKeyPZEPFSADAXQMBJ-UHFFFAOYSA-N
XLogP3.56
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.50
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(5-ethylthiophen-2-yl)-3-N,3-N,3-trimethyl-2-N-propylbutane-2,3-diamine with MolForge

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Related Compounds

2-N-ethyl-1-(5-ethylthiophen-2-yl)-3-N,3-N,3-trimethylbutane-2,3-diamine
CID 79052816
1-(5-chlorothiophen-2-yl)-3-N,3-N,3-trimethyl-2-N-propylbutane-2,3-diamine
CID 79053736
1-(5-ethylthiophen-2-yl)-3-methyl-N-propyl-3-pyrrolidin-1-ylbutan-2-amine
CID 79051436
1-(2,5-dimethylphenyl)-3-N,3-N,3-trimethyl-2-N-propylbutane-2,3-diamine
CID 79053836
1-(2,3-dichlorophenyl)-3-N,3-N,3-trimethyl-2-N-propylbutane-2,3-diamine
CID 107308776
N-[1-cyclopropyl-2-(5-ethylthiophen-2-yl)ethyl]propan-1-amine
CID 62600030
N-[1-cyclohexyl-2-(5-ethylthiophen-2-yl)ethyl]propan-1-amine
CID 63413397
N-[1-(7-bicyclo[4.1.0]heptanyl)-2-(5-ethylthiophen-2-yl)ethyl]propan-1-amine
CID 115842387
2-N,2-N,2-trimethyl-5-phenyl-3-N-propylpentane-2,3-diamine
CID 79054320
1-(3-fluoro-4-methoxyphenyl)-3-N,3-N,3-trimethyl-2-N-propylbutane-2,3-diamine
CID 79047153
[3-(5-ethylthiophen-2-yl)-1,1,1-trifluoropropan-2-yl]hydrazine
CID 105215725
N-[1-(4-ethylcyclohexyl)-2-(5-ethylthiophen-2-yl)ethyl]propan-1-amine
CID 65392917

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethylthiophen-2-yl)-3-N,3-N,3-trimethyl-2-N-propylbutane-2,3-diamine?
The IUPAC name of 1-(5-ethylthiophen-2-yl)-3-N,3-N,3-trimethyl-2-N-propylbutane-2,3-diamine (CID 79053636) is 1-(5-ethylthiophen-2-yl)-3-N,3-N,3-trimethyl-2-N-propylbutane-2,3-diamine.
What is the SMILES notation for 1-(5-ethylthiophen-2-yl)-3-N,3-N,3-trimethyl-2-N-propylbutane-2,3-diamine?
The canonical SMILES for 1-(5-ethylthiophen-2-yl)-3-N,3-N,3-trimethyl-2-N-propylbutane-2,3-diamine is CCCNC(Cc1ccc(CC)s1)C(C)(C)N(C)C.
What is the InChIKey of 1-(5-ethylthiophen-2-yl)-3-N,3-N,3-trimethyl-2-N-propylbutane-2,3-diamine?
The InChIKey is PZEPFSADAXQMBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2S/c1-7-11-17-15(16(3,4)18(5)6)12-14-10-9-13(8-2)19-14/h9-10,15,17H,7-8,11-12H2,1-6H3.
What are the key properties of 1-(5-ethylthiophen-2-yl)-3-N,3-N,3-trimethyl-2-N-propylbutane-2,3-diamine?
1-(5-ethylthiophen-2-yl)-3-N,3-N,3-trimethyl-2-N-propylbutane-2,3-diamine has a molecular weight of 282.50 g/mol, XLogP of 3.56, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethylthiophen-2-yl)-3-N,3-N,3-trimethyl-2-N-propylbutane-2,3-diamine is sourced from PubChem (CID 79053636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).