4,4-dimethyl-3-[1-(3-methylthiophen-2-yl)ethylamino]pentan-1-ol

C14H25NOS — CID 104925970

IUPAC4,4-dimethyl-3-[1-(3-methylthiophen-2-yl)ethylamino]pentan-1-ol
SMILESCc1ccsc1C(C)NC(CCO)C(C)(C)C
InChIInChI=1S/C14H25NOS/c1-10-7-9-17-13(10)11(2)15-12(6-8-16)14(3,4)5/h7,9,11-12,15-16H,6,8H2,1-5H3
InChIKeyCSMMUGQKJDXMST-UHFFFAOYSA-N
MW255.43 g/mol
LogP3.50
Rot. Bonds5

About 4,4-dimethyl-3-[1-(3-methylthiophen-2-yl)ethylamino]pentan-1-ol

4,4-dimethyl-3-[1-(3-methylthiophen-2-yl)ethylamino]pentan-1-ol (PubChem CID 104925970) has the molecular formula C14H25NOS and a molecular weight of 255.43 g/mol. Its IUPAC name is 4,4-dimethyl-3-[1-(3-methylthiophen-2-yl)ethylamino]pentan-1-ol.

Molecular Properties

Compound Name4,4-dimethyl-3-[1-(3-methylthiophen-2-yl)ethylamino]pentan-1-ol
PubChem CID104925970
Molecular FormulaC14H25NOS
Molecular Weight255.43 g/mol
Exact Mass255.17
IUPAC Name4,4-dimethyl-3-[1-(3-methylthiophen-2-yl)ethylamino]pentan-1-ol
SMILESCc1ccsc1C(C)NC(CCO)C(C)(C)C
InChIInChI=1S/C14H25NOS/c1-10-7-9-17-13(10)11(2)15-12(6-8-16)14(3,4)5/h7,9,11-12,15-16H,6,8H2,1-5H3
InChIKeyCSMMUGQKJDXMST-UHFFFAOYSA-N
XLogP3.50
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.43
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3-methylthiophen-2-yl)ethyl]butan-2-amine
CID 63992990
3-[1-(3,5-dimethylphenyl)ethylamino]-4,4-dimethylpentan-1-ol
CID 104926046
4,4-dimethyl-3-[1-(1,3-thiazol-4-yl)ethylamino]pentan-1-ol
CID 104925969
3-[1-(furan-2-yl)ethylamino]-4,4-dimethylpentan-1-ol
CID 104663612
3-methyl-2-(3-methylthiophen-2-yl)butan-1-ol
CID 116964294
(2R)-1-methoxy-N-[(1S)-1-(3-methylthiophen-2-yl)ethyl]propan-2-amine
CID 95310720
1-N,1-N-dimethyl-2-N-[1-(3-methylthiophen-2-yl)ethyl]propane-1,2-diamine
CID 82946292
4-[1-(3-methylthiophen-2-yl)ethylamino]butan-2-ol
CID 64912799
2,2-difluoro-3-[1-(3-methylthiophen-2-yl)ethylamino]propan-1-ol
CID 104860527
3-[1-(furan-3-yl)ethylamino]-4,4-dimethylpentan-1-ol
CID 104926019
2-amino-1-(3-methylthiophen-2-yl)butane-1,4-diol
CID 83929127
2,2-dimethyl-3-[[(1R)-1-(3-methylthiophen-2-yl)ethyl]amino]propanamide
CID 99636574

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-3-[1-(3-methylthiophen-2-yl)ethylamino]pentan-1-ol?
The IUPAC name of 4,4-dimethyl-3-[1-(3-methylthiophen-2-yl)ethylamino]pentan-1-ol (CID 104925970) is 4,4-dimethyl-3-[1-(3-methylthiophen-2-yl)ethylamino]pentan-1-ol.
What is the SMILES notation for 4,4-dimethyl-3-[1-(3-methylthiophen-2-yl)ethylamino]pentan-1-ol?
The canonical SMILES for 4,4-dimethyl-3-[1-(3-methylthiophen-2-yl)ethylamino]pentan-1-ol is Cc1ccsc1C(C)NC(CCO)C(C)(C)C.
What is the InChIKey of 4,4-dimethyl-3-[1-(3-methylthiophen-2-yl)ethylamino]pentan-1-ol?
The InChIKey is CSMMUGQKJDXMST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NOS/c1-10-7-9-17-13(10)11(2)15-12(6-8-16)14(3,4)5/h7,9,11-12,15-16H,6,8H2,1-5H3.
What are the key properties of 4,4-dimethyl-3-[1-(3-methylthiophen-2-yl)ethylamino]pentan-1-ol?
4,4-dimethyl-3-[1-(3-methylthiophen-2-yl)ethylamino]pentan-1-ol has a molecular weight of 255.43 g/mol, XLogP of 3.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-3-[1-(3-methylthiophen-2-yl)ethylamino]pentan-1-ol is sourced from PubChem (CID 104925970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).