2-[4-(diethylamino)butylamino]-1-thiophen-2-ylpropan-1-ol

C15H28N2OS — CID 82314459

IUPAC2-[4-(diethylamino)butylamino]-1-thiophen-2-ylpropan-1-ol
SMILESCCN(CC)CCCCNC(C)C(O)c1cccs1
InChIInChI=1S/C15H28N2OS/c1-4-17(5-2)11-7-6-10-16-13(3)15(18)14-9-8-12-19-14/h8-9,12-13,15-16,18H,4-7,10-11H2,1-3H3
InChIKeyNXCDIVYQKWDOOC-UHFFFAOYSA-N
MW284.47 g/mol
LogP2.88
Rot. Bonds10

About 2-[4-(diethylamino)butylamino]-1-thiophen-2-ylpropan-1-ol

2-[4-(diethylamino)butylamino]-1-thiophen-2-ylpropan-1-ol (PubChem CID 82314459) has the molecular formula C15H28N2OS and a molecular weight of 284.47 g/mol. Its IUPAC name is 2-[4-(diethylamino)butylamino]-1-thiophen-2-ylpropan-1-ol.

Molecular Properties

Compound Name2-[4-(diethylamino)butylamino]-1-thiophen-2-ylpropan-1-ol
PubChem CID82314459
Molecular FormulaC15H28N2OS
Molecular Weight284.47 g/mol
Exact Mass284.19
IUPAC Name2-[4-(diethylamino)butylamino]-1-thiophen-2-ylpropan-1-ol
SMILESCCN(CC)CCCCNC(C)C(O)c1cccs1
InChIInChI=1S/C15H28N2OS/c1-4-17(5-2)11-7-6-10-16-13(3)15(18)14-9-8-12-19-14/h8-9,12-13,15-16,18H,4-7,10-11H2,1-3H3
InChIKeyNXCDIVYQKWDOOC-UHFFFAOYSA-N
XLogP2.88
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.47
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(pentylamino)-1-thiophen-2-ylpropan-1-ol
CID 82314420
2-[2-(dimethylamino)ethylamino]-1-thiophen-2-ylpropan-1-ol
CID 82314461
2-[2-(diethylamino)ethylamino]-3-methyl-1-thiophen-2-ylbutan-1-ol
CID 82314573
2-[3-(diethylamino)propylamino]-1-phenylpropan-1-ol
CID 82312095
3-[butyl(ethyl)amino]-1-thiophen-2-ylpropan-1-ol
CID 82074207
1-N,1-N-diethyl-4-N-(1-thiophen-2-ylethyl)pentane-1,4-diamine
CID 43193468
N',N'-diethyl-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]propane-1,3-diamine
CID 43763148
N,N',N'-triethyl-1-thiophen-2-ylpropane-1,3-diamine
CID 79087157
N-[(1R)-1-thiophen-2-ylethyl]heptan-1-amine
CID 81398404
5-[[(1S)-1-thiophen-2-ylethyl]amino]pentan-1-ol
CID 81408361
N',N'-diethyl-N-methyl-1-thiophen-2-ylpropane-1,3-diamine
CID 79086941
1-N,1-N-diethyl-2-N-(4-thiophen-2-ylbutyl)propane-1,2-diamine
CID 113408512

Frequently Asked Questions

What is the IUPAC name of 2-[4-(diethylamino)butylamino]-1-thiophen-2-ylpropan-1-ol?
The IUPAC name of 2-[4-(diethylamino)butylamino]-1-thiophen-2-ylpropan-1-ol (CID 82314459) is 2-[4-(diethylamino)butylamino]-1-thiophen-2-ylpropan-1-ol.
What is the SMILES notation for 2-[4-(diethylamino)butylamino]-1-thiophen-2-ylpropan-1-ol?
The canonical SMILES for 2-[4-(diethylamino)butylamino]-1-thiophen-2-ylpropan-1-ol is CCN(CC)CCCCNC(C)C(O)c1cccs1.
What is the InChIKey of 2-[4-(diethylamino)butylamino]-1-thiophen-2-ylpropan-1-ol?
The InChIKey is NXCDIVYQKWDOOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2OS/c1-4-17(5-2)11-7-6-10-16-13(3)15(18)14-9-8-12-19-14/h8-9,12-13,15-16,18H,4-7,10-11H2,1-3H3.
What are the key properties of 2-[4-(diethylamino)butylamino]-1-thiophen-2-ylpropan-1-ol?
2-[4-(diethylamino)butylamino]-1-thiophen-2-ylpropan-1-ol has a molecular weight of 284.47 g/mol, XLogP of 2.88, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(diethylamino)butylamino]-1-thiophen-2-ylpropan-1-ol is sourced from PubChem (CID 82314459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).