1-(5-ethylthiophen-2-yl)-N-(2-methylpropyl)-N-pentan-3-ylethane-1,2-diamine

C17H32N2S — CID 79483443

IUPAC1-(5-ethylthiophen-2-yl)-N-(2-methylpropyl)-N-pentan-3-ylethane-1,2-diamine
SMILESCCc1ccc(C(CN)N(CC(C)C)C(CC)CC)s1
InChIInChI=1S/C17H32N2S/c1-6-14(7-2)19(12-13(4)5)16(11-18)17-10-9-15(8-3)20-17/h9-10,13-14,16H,6-8,11-12,18H2,1-5H3
InChIKeyIMMZYBJOMUBVBF-UHFFFAOYSA-N
MW296.52 g/mol
LogP4.46
Rot. Bonds9

About 1-(5-ethylthiophen-2-yl)-N-(2-methylpropyl)-N-pentan-3-ylethane-1,2-diamine

1-(5-ethylthiophen-2-yl)-N-(2-methylpropyl)-N-pentan-3-ylethane-1,2-diamine (PubChem CID 79483443) has the molecular formula C17H32N2S and a molecular weight of 296.52 g/mol. Its IUPAC name is 1-(5-ethylthiophen-2-yl)-N-(2-methylpropyl)-N-pentan-3-ylethane-1,2-diamine.

Molecular Properties

Compound Name1-(5-ethylthiophen-2-yl)-N-(2-methylpropyl)-N-pentan-3-ylethane-1,2-diamine
PubChem CID79483443
Molecular FormulaC17H32N2S
Molecular Weight296.52 g/mol
Exact Mass296.23
IUPAC Name1-(5-ethylthiophen-2-yl)-N-(2-methylpropyl)-N-pentan-3-ylethane-1,2-diamine
SMILESCCc1ccc(C(CN)N(CC(C)C)C(CC)CC)s1
InChIInChI=1S/C17H32N2S/c1-6-14(7-2)19(12-13(4)5)16(11-18)17-10-9-15(8-3)20-17/h9-10,13-14,16H,6-8,11-12,18H2,1-5H3
InChIKeyIMMZYBJOMUBVBF-UHFFFAOYSA-N
XLogP4.46
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.52
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-ethylthiophen-2-yl)-N-propan-2-yl-N-propylethane-1,2-diamine
CID 62345206
1-(5-ethylthiophen-2-yl)-N,N-bis(3-methylbutyl)ethane-1,2-diamine
CID 107869418
1-(3,5-dimethylphenyl)-N-(2-methylpropyl)-N-pentan-3-ylethane-1,2-diamine
CID 79490465
1-(3-fluorophenyl)-N-(2-methylpropyl)-N-pentan-3-ylethane-1,2-diamine
CID 79483927
1-(5-chloro-2-fluorophenyl)-N-(2-methylpropyl)-N-pentan-3-ylethane-1,2-diamine
CID 114843325
1-(3-chloro-4-methylphenyl)-N-(2-methylpropyl)-N-pentan-3-ylethane-1,2-diamine
CID 106817491
1-N-(2-methylpropyl)-1-(5-methylthiophen-2-yl)-1-N-pentan-3-ylbutane-1,2-diamine
CID 79489989
2-(aminomethyl)-1-(5-ethylthiophen-2-yl)-4-methylpentan-1-ol
CID 65187875
N-ethyl-1-(5-ethylthiophen-2-yl)-N-(3-methylphenyl)ethane-1,2-diamine
CID 62347355
1-amino-4-(5-ethylthiophen-2-yl)pentan-2-ol
CID 83929457
1-(1,5-dimethylpyrazol-4-yl)-N-(2-methylpropyl)-N-pentan-3-ylethane-1,2-diamine
CID 79584531
N-ethyl-1-(5-ethylthiophen-2-yl)ethane-1,2-diamine
CID 62344671

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethylthiophen-2-yl)-N-(2-methylpropyl)-N-pentan-3-ylethane-1,2-diamine?
The IUPAC name of 1-(5-ethylthiophen-2-yl)-N-(2-methylpropyl)-N-pentan-3-ylethane-1,2-diamine (CID 79483443) is 1-(5-ethylthiophen-2-yl)-N-(2-methylpropyl)-N-pentan-3-ylethane-1,2-diamine.
What is the SMILES notation for 1-(5-ethylthiophen-2-yl)-N-(2-methylpropyl)-N-pentan-3-ylethane-1,2-diamine?
The canonical SMILES for 1-(5-ethylthiophen-2-yl)-N-(2-methylpropyl)-N-pentan-3-ylethane-1,2-diamine is CCc1ccc(C(CN)N(CC(C)C)C(CC)CC)s1.
What is the InChIKey of 1-(5-ethylthiophen-2-yl)-N-(2-methylpropyl)-N-pentan-3-ylethane-1,2-diamine?
The InChIKey is IMMZYBJOMUBVBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2S/c1-6-14(7-2)19(12-13(4)5)16(11-18)17-10-9-15(8-3)20-17/h9-10,13-14,16H,6-8,11-12,18H2,1-5H3.
What are the key properties of 1-(5-ethylthiophen-2-yl)-N-(2-methylpropyl)-N-pentan-3-ylethane-1,2-diamine?
1-(5-ethylthiophen-2-yl)-N-(2-methylpropyl)-N-pentan-3-ylethane-1,2-diamine has a molecular weight of 296.52 g/mol, XLogP of 4.46, 9 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-(2-methylpropyl)-N-pentan-3-ylethane-1,2-diamine is sourced from PubChem (CID 79483443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).