2-[2-(diethylamino)ethylamino]-3-methyl-1-thiophen-2-ylbutan-1-ol

C15H28N2OS — CID 82314573

IUPAC2-[2-(diethylamino)ethylamino]-3-methyl-1-thiophen-2-ylbutan-1-ol
SMILESCCN(CC)CCNC(C(C)C)C(O)c1cccs1
InChIInChI=1S/C15H28N2OS/c1-5-17(6-2)10-9-16-14(12(3)4)15(18)13-8-7-11-19-13/h7-8,11-12,14-16,18H,5-6,9-10H2,1-4H3
InChIKeyQJSNTUMPZLQQHM-UHFFFAOYSA-N
MW284.47 g/mol
LogP2.74
Rot. Bonds9

About 2-[2-(diethylamino)ethylamino]-3-methyl-1-thiophen-2-ylbutan-1-ol

2-[2-(diethylamino)ethylamino]-3-methyl-1-thiophen-2-ylbutan-1-ol (PubChem CID 82314573) has the molecular formula C15H28N2OS and a molecular weight of 284.47 g/mol. Its IUPAC name is 2-[2-(diethylamino)ethylamino]-3-methyl-1-thiophen-2-ylbutan-1-ol.

Molecular Properties

Compound Name2-[2-(diethylamino)ethylamino]-3-methyl-1-thiophen-2-ylbutan-1-ol
PubChem CID82314573
Molecular FormulaC15H28N2OS
Molecular Weight284.47 g/mol
Exact Mass284.19
IUPAC Name2-[2-(diethylamino)ethylamino]-3-methyl-1-thiophen-2-ylbutan-1-ol
SMILESCCN(CC)CCNC(C(C)C)C(O)c1cccs1
InChIInChI=1S/C15H28N2OS/c1-5-17(6-2)10-9-16-14(12(3)4)15(18)13-8-7-11-19-13/h7-8,11-12,14-16,18H,5-6,9-10H2,1-4H3
InChIKeyQJSNTUMPZLQQHM-UHFFFAOYSA-N
XLogP2.74
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.47
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(diethylamino)butylamino]-1-thiophen-2-ylpropan-1-ol
CID 82314459
3-methyl-2-(2-phenylethylamino)-1-thiophen-2-ylbutan-1-ol
CID 82314561
2-(benzylamino)-3-methyl-1-thiophen-2-ylbutan-1-ol
CID 82314555
N'-ethyl-N'-(2-methylbutyl)-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine
CID 79482754
2-[2-(dimethylamino)ethylamino]-1-thiophen-2-ylpropan-1-ol
CID 82314461
N,N',N'-triethyl-1-thiophen-2-ylpropane-1,3-diamine
CID 79087157
1-N,1-N-diethyl-4-N-(1-thiophen-2-ylethyl)pentane-1,4-diamine
CID 43193468
N'-ethyl-N-propan-2-yl-N'-(2-thiophen-2-ylethyl)ethane-1,2-diamine
CID 63774752
2-(pentylamino)-1-thiophen-2-ylpropan-1-ol
CID 82314420
(1R,2R)-3-methyl-1-thiophen-2-ylbutane-1,2-diol
CID 138661529
2-[1-[2-(diethylamino)ethylamino]ethyl]phenol
CID 43194012
N',N'-diethyl-N-methyl-1-thiophen-2-ylpropane-1,3-diamine
CID 79086941

Frequently Asked Questions

What is the IUPAC name of 2-[2-(diethylamino)ethylamino]-3-methyl-1-thiophen-2-ylbutan-1-ol?
The IUPAC name of 2-[2-(diethylamino)ethylamino]-3-methyl-1-thiophen-2-ylbutan-1-ol (CID 82314573) is 2-[2-(diethylamino)ethylamino]-3-methyl-1-thiophen-2-ylbutan-1-ol.
What is the SMILES notation for 2-[2-(diethylamino)ethylamino]-3-methyl-1-thiophen-2-ylbutan-1-ol?
The canonical SMILES for 2-[2-(diethylamino)ethylamino]-3-methyl-1-thiophen-2-ylbutan-1-ol is CCN(CC)CCNC(C(C)C)C(O)c1cccs1.
What is the InChIKey of 2-[2-(diethylamino)ethylamino]-3-methyl-1-thiophen-2-ylbutan-1-ol?
The InChIKey is QJSNTUMPZLQQHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2OS/c1-5-17(6-2)10-9-16-14(12(3)4)15(18)13-8-7-11-19-13/h7-8,11-12,14-16,18H,5-6,9-10H2,1-4H3.
What are the key properties of 2-[2-(diethylamino)ethylamino]-3-methyl-1-thiophen-2-ylbutan-1-ol?
2-[2-(diethylamino)ethylamino]-3-methyl-1-thiophen-2-ylbutan-1-ol has a molecular weight of 284.47 g/mol, XLogP of 2.74, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(diethylamino)ethylamino]-3-methyl-1-thiophen-2-ylbutan-1-ol is sourced from PubChem (CID 82314573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).