1-(5-ethylthiophen-2-yl)-N-(3-methyl-2-propan-2-ylbutyl)ethane-1,2-diamine

C16H30N2S — CID 102912632

IUPAC1-(5-ethylthiophen-2-yl)-N-(3-methyl-2-propan-2-ylbutyl)ethane-1,2-diamine
SMILESCCc1ccc(C(CN)NCC(C(C)C)C(C)C)s1
InChIInChI=1S/C16H30N2S/c1-6-13-7-8-16(19-13)15(9-17)18-10-14(11(2)3)12(4)5/h7-8,11-12,14-15,18H,6,9-10,17H2,1-5H3
InChIKeyAVSRUYVIKCSKJE-UHFFFAOYSA-N
MW282.50 g/mol
LogP3.83
Rot. Bonds8

About 1-(5-ethylthiophen-2-yl)-N-(3-methyl-2-propan-2-ylbutyl)ethane-1,2-diamine

1-(5-ethylthiophen-2-yl)-N-(3-methyl-2-propan-2-ylbutyl)ethane-1,2-diamine (PubChem CID 102912632) has the molecular formula C16H30N2S and a molecular weight of 282.50 g/mol. Its IUPAC name is 1-(5-ethylthiophen-2-yl)-N-(3-methyl-2-propan-2-ylbutyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(5-ethylthiophen-2-yl)-N-(3-methyl-2-propan-2-ylbutyl)ethane-1,2-diamine
PubChem CID102912632
Molecular FormulaC16H30N2S
Molecular Weight282.50 g/mol
Exact Mass282.21
IUPAC Name1-(5-ethylthiophen-2-yl)-N-(3-methyl-2-propan-2-ylbutyl)ethane-1,2-diamine
SMILESCCc1ccc(C(CN)NCC(C(C)C)C(C)C)s1
InChIInChI=1S/C16H30N2S/c1-6-13-7-8-16(19-13)15(9-17)18-10-14(11(2)3)12(4)5/h7-8,11-12,14-15,18H,6,9-10,17H2,1-5H3
InChIKeyAVSRUYVIKCSKJE-UHFFFAOYSA-N
XLogP3.83
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.50
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-(5-ethylthiophen-2-yl)ethane-1,2-diamine
CID 62344671
1-(5-ethylthiophen-2-yl)-N-(2-methoxyethyl)ethane-1,2-diamine
CID 62540616
1-(5-ethylthiophen-2-yl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 65380761
1-(4-ethoxyphenyl)-N-(3-methyl-2-propan-2-ylbutyl)ethane-1,2-diamine
CID 102912603
[1-(5-ethylthiophen-2-yl)-3-methylbutyl]hydrazine
CID 105282687
[1-(5-ethylthiophen-2-yl)-5-methylhexyl]hydrazine
CID 105331221
1-(furan-2-yl)-N-(3-methyl-2-propan-2-ylbutyl)ethane-1,2-diamine
CID 102912745
[1-(5-ethylthiophen-2-yl)-3-methylpentyl]hydrazine
CID 105298469
1-(5-ethylthiophen-2-yl)-2-methyl-N-propylpropan-1-amine
CID 43494310
1-(5-ethylthiophen-2-yl)-N-propylbutan-1-amine
CID 43494311
2-(aminomethyl)-1-(5-ethylthiophen-2-yl)-4-methylpentan-1-ol
CID 65187875
(1R)-1-(5-ethylthiophen-2-yl)-N-methylethanamine
CID 55277214

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethylthiophen-2-yl)-N-(3-methyl-2-propan-2-ylbutyl)ethane-1,2-diamine?
The IUPAC name of 1-(5-ethylthiophen-2-yl)-N-(3-methyl-2-propan-2-ylbutyl)ethane-1,2-diamine (CID 102912632) is 1-(5-ethylthiophen-2-yl)-N-(3-methyl-2-propan-2-ylbutyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(5-ethylthiophen-2-yl)-N-(3-methyl-2-propan-2-ylbutyl)ethane-1,2-diamine?
The canonical SMILES for 1-(5-ethylthiophen-2-yl)-N-(3-methyl-2-propan-2-ylbutyl)ethane-1,2-diamine is CCc1ccc(C(CN)NCC(C(C)C)C(C)C)s1.
What is the InChIKey of 1-(5-ethylthiophen-2-yl)-N-(3-methyl-2-propan-2-ylbutyl)ethane-1,2-diamine?
The InChIKey is AVSRUYVIKCSKJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2S/c1-6-13-7-8-16(19-13)15(9-17)18-10-14(11(2)3)12(4)5/h7-8,11-12,14-15,18H,6,9-10,17H2,1-5H3.
What are the key properties of 1-(5-ethylthiophen-2-yl)-N-(3-methyl-2-propan-2-ylbutyl)ethane-1,2-diamine?
1-(5-ethylthiophen-2-yl)-N-(3-methyl-2-propan-2-ylbutyl)ethane-1,2-diamine has a molecular weight of 282.50 g/mol, XLogP of 3.83, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethylthiophen-2-yl)-N-(3-methyl-2-propan-2-ylbutyl)ethane-1,2-diamine is sourced from PubChem (CID 102912632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).