1-(5-ethylthiophen-2-yl)-N-propan-2-yl-N-propylethane-1,2-diamine

C14H26N2S — CID 62345206

IUPAC1-(5-ethylthiophen-2-yl)-N-propan-2-yl-N-propylethane-1,2-diamine
SMILESCCCN(C(C)C)C(CN)c1ccc(CC)s1
InChIInChI=1S/C14H26N2S/c1-5-9-16(11(3)4)13(10-15)14-8-7-12(6-2)17-14/h7-8,11,13H,5-6,9-10,15H2,1-4H3
InChIKeyJSKKLIMIWZJHQZ-UHFFFAOYSA-N
MW254.44 g/mol
LogP3.43
Rot. Bonds7

About 1-(5-ethylthiophen-2-yl)-N-propan-2-yl-N-propylethane-1,2-diamine

1-(5-ethylthiophen-2-yl)-N-propan-2-yl-N-propylethane-1,2-diamine (PubChem CID 62345206) has the molecular formula C14H26N2S and a molecular weight of 254.44 g/mol. Its IUPAC name is 1-(5-ethylthiophen-2-yl)-N-propan-2-yl-N-propylethane-1,2-diamine.

Molecular Properties

Compound Name1-(5-ethylthiophen-2-yl)-N-propan-2-yl-N-propylethane-1,2-diamine
PubChem CID62345206
Molecular FormulaC14H26N2S
Molecular Weight254.44 g/mol
Exact Mass254.18
IUPAC Name1-(5-ethylthiophen-2-yl)-N-propan-2-yl-N-propylethane-1,2-diamine
SMILESCCCN(C(C)C)C(CN)c1ccc(CC)s1
InChIInChI=1S/C14H26N2S/c1-5-9-16(11(3)4)13(10-15)14-8-7-12(6-2)17-14/h7-8,11,13H,5-6,9-10,15H2,1-4H3
InChIKeyJSKKLIMIWZJHQZ-UHFFFAOYSA-N
XLogP3.43
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.44
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-ethylthiophen-2-yl)-N-(2-methylpropyl)-N-pentan-3-ylethane-1,2-diamine
CID 79483443
1-(5-ethylthiophen-2-yl)-N,N-bis(3-methylbutyl)ethane-1,2-diamine
CID 107869418
1-(5-chlorothiophen-2-yl)-N-pentyl-N-propan-2-ylethane-1,2-diamine
CID 55002445
N-ethyl-1-(5-ethylthiophen-2-yl)ethane-1,2-diamine
CID 62344671
1-(5-methylfuran-2-yl)-N-pentyl-N-propan-2-ylethane-1,2-diamine
CID 55001862
1-(2-fluorophenyl)-N-propan-2-yl-N-propylethane-1,2-diamine
CID 43269458
N-ethyl-1-(5-ethylthiophen-2-yl)-N-(3-methylphenyl)ethane-1,2-diamine
CID 62347355
1-(5-ethylthiophen-2-yl)-N-(3-methyl-2-propan-2-ylbutyl)ethane-1,2-diamine
CID 102912632
1-(3-methylphenyl)-N-propan-2-yl-N-propylethane-1,2-diamine
CID 43269372
1-amino-4-(5-ethylthiophen-2-yl)pentan-2-ol
CID 83929457
1-(4-fluoro-2-methylphenyl)-N-propan-2-yl-N-propylethane-1,2-diamine
CID 62136494
1-(3-bromophenyl)-N-propan-2-yl-N-propylethane-1,2-diamine
CID 43269395

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethylthiophen-2-yl)-N-propan-2-yl-N-propylethane-1,2-diamine?
The IUPAC name of 1-(5-ethylthiophen-2-yl)-N-propan-2-yl-N-propylethane-1,2-diamine (CID 62345206) is 1-(5-ethylthiophen-2-yl)-N-propan-2-yl-N-propylethane-1,2-diamine.
What is the SMILES notation for 1-(5-ethylthiophen-2-yl)-N-propan-2-yl-N-propylethane-1,2-diamine?
The canonical SMILES for 1-(5-ethylthiophen-2-yl)-N-propan-2-yl-N-propylethane-1,2-diamine is CCCN(C(C)C)C(CN)c1ccc(CC)s1.
What is the InChIKey of 1-(5-ethylthiophen-2-yl)-N-propan-2-yl-N-propylethane-1,2-diamine?
The InChIKey is JSKKLIMIWZJHQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2S/c1-5-9-16(11(3)4)13(10-15)14-8-7-12(6-2)17-14/h7-8,11,13H,5-6,9-10,15H2,1-4H3.
What are the key properties of 1-(5-ethylthiophen-2-yl)-N-propan-2-yl-N-propylethane-1,2-diamine?
1-(5-ethylthiophen-2-yl)-N-propan-2-yl-N-propylethane-1,2-diamine has a molecular weight of 254.44 g/mol, XLogP of 3.43, 7 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)-N-propan-2-yl-N-propylethane-1,2-diamine is sourced from PubChem (CID 62345206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).