4,4-dimethyl-5-(1-thiophen-3-ylethylamino)pentan-1-ol

C13H23NOS — CID 103898870

IUPAC4,4-dimethyl-5-(1-thiophen-3-ylethylamino)pentan-1-ol
SMILESCC(NCC(C)(C)CCCO)c1ccsc1
InChIInChI=1S/C13H23NOS/c1-11(12-5-8-16-9-12)14-10-13(2,3)6-4-7-15/h5,8-9,11,14-15H,4,6-7,10H2,1-3H3
InChIKeyDOIZJNWLKFQYGX-UHFFFAOYSA-N
MW241.40 g/mol
LogP3.20
Rot. Bonds7

About 4,4-dimethyl-5-(1-thiophen-3-ylethylamino)pentan-1-ol

4,4-dimethyl-5-(1-thiophen-3-ylethylamino)pentan-1-ol (PubChem CID 103898870) has the molecular formula C13H23NOS and a molecular weight of 241.40 g/mol. Its IUPAC name is 4,4-dimethyl-5-(1-thiophen-3-ylethylamino)pentan-1-ol.

Molecular Properties

Compound Name4,4-dimethyl-5-(1-thiophen-3-ylethylamino)pentan-1-ol
PubChem CID103898870
Molecular FormulaC13H23NOS
Molecular Weight241.40 g/mol
Exact Mass241.15
IUPAC Name4,4-dimethyl-5-(1-thiophen-3-ylethylamino)pentan-1-ol
SMILESCC(NCC(C)(C)CCCO)c1ccsc1
InChIInChI=1S/C13H23NOS/c1-11(12-5-8-16-9-12)14-10-13(2,3)6-4-7-15/h5,8-9,11,14-15H,4,6-7,10H2,1-3H3
InChIKeyDOIZJNWLKFQYGX-UHFFFAOYSA-N
XLogP3.20
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.40
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-thiophen-3-ylethylamino)propan-1-ol
CID 53274757
2,2-dimethyl-N-(1-thiophen-3-ylethyl)propan-1-amine
CID 62090002
5-[1-(furan-3-yl)ethylamino]-4,4-dimethylpentan-1-ol
CID 103898963
3-fluoro-4-[1-[(5-hydroxy-2,2-dimethylpentyl)amino]ethyl]phenol
CID 106144463
3,3-dimethyl-4-[1-(4-methylphenyl)ethylamino]butan-1-ol
CID 103787637
N-tert-butyl-2-(1-thiophen-3-ylethylamino)acetamide
CID 62842048
4,4-dimethyl-5-[(2-methyl-1-phenylpropyl)amino]pentan-1-ol
CID 103911194
N-(5-hydroxy-2,2-dimethylpentyl)-2-thiophen-3-ylacetamide
CID 103899658
N',N'-dimethyl-N-(1-thiophen-3-ylethyl)propane-1,3-diamine
CID 53274606
3-(1-thiophen-3-ylethylamino)butan-1-ol
CID 81338166
N-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1-thiophen-3-ylethanamine
CID 112568339
2-methyl-2-morpholin-4-yl-N-(1-thiophen-3-ylethyl)propan-1-amine
CID 62091009

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-5-(1-thiophen-3-ylethylamino)pentan-1-ol?
The IUPAC name of 4,4-dimethyl-5-(1-thiophen-3-ylethylamino)pentan-1-ol (CID 103898870) is 4,4-dimethyl-5-(1-thiophen-3-ylethylamino)pentan-1-ol.
What is the SMILES notation for 4,4-dimethyl-5-(1-thiophen-3-ylethylamino)pentan-1-ol?
The canonical SMILES for 4,4-dimethyl-5-(1-thiophen-3-ylethylamino)pentan-1-ol is CC(NCC(C)(C)CCCO)c1ccsc1.
What is the InChIKey of 4,4-dimethyl-5-(1-thiophen-3-ylethylamino)pentan-1-ol?
The InChIKey is DOIZJNWLKFQYGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NOS/c1-11(12-5-8-16-9-12)14-10-13(2,3)6-4-7-15/h5,8-9,11,14-15H,4,6-7,10H2,1-3H3.
What are the key properties of 4,4-dimethyl-5-(1-thiophen-3-ylethylamino)pentan-1-ol?
4,4-dimethyl-5-(1-thiophen-3-ylethylamino)pentan-1-ol has a molecular weight of 241.40 g/mol, XLogP of 3.20, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-5-(1-thiophen-3-ylethylamino)pentan-1-ol is sourced from PubChem (CID 103898870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).