2,4-diamino-1-(5-propylthiophen-2-yl)butan-1-ol

C11H20N2OS — CID 83929506

IUPAC2,4-diamino-1-(5-propylthiophen-2-yl)butan-1-ol
SMILESCCCc1ccc(C(O)C(N)CCN)s1
InChIInChI=1S/C11H20N2OS/c1-2-3-8-4-5-10(15-8)11(14)9(13)6-7-12/h4-5,9,11,14H,2-3,6-7,12-13H2,1H3
InChIKeyIFZZYSMDLIYRJC-UHFFFAOYSA-N
MW228.36 g/mol
LogP1.41
Rot. Bonds6

About 2,4-diamino-1-(5-propylthiophen-2-yl)butan-1-ol

2,4-diamino-1-(5-propylthiophen-2-yl)butan-1-ol (PubChem CID 83929506) has the molecular formula C11H20N2OS and a molecular weight of 228.36 g/mol. Its IUPAC name is 2,4-diamino-1-(5-propylthiophen-2-yl)butan-1-ol.

Molecular Properties

Compound Name2,4-diamino-1-(5-propylthiophen-2-yl)butan-1-ol
PubChem CID83929506
Molecular FormulaC11H20N2OS
Molecular Weight228.36 g/mol
Exact Mass228.13
IUPAC Name2,4-diamino-1-(5-propylthiophen-2-yl)butan-1-ol
SMILESCCCc1ccc(C(O)C(N)CCN)s1
InChIInChI=1S/C11H20N2OS/c1-2-3-8-4-5-10(15-8)11(14)9(13)6-7-12/h4-5,9,11,14H,2-3,6-7,12-13H2,1H3
InChIKeyIFZZYSMDLIYRJC-UHFFFAOYSA-N
XLogP1.41
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(5-propylthiophen-2-yl)hexan-1-amine
CID 83929486
2,5-dipropylthiophene
CID 587485
1-[5-(aminomethyl)thiophen-2-yl]propan-1-ol
CID 82375071
2-(4-chlorobutan-2-yl)-5-propylthiophene
CID 83929483
6-(5-propylthiophen-2-yl)heptane-3,4-diol
CID 83929603
(1R)-N-methyl-1-(5-propylthiophen-2-yl)ethanamine
CID 55277541
2-amino-2-(5-ethylthiophen-2-yl)ethanol
CID 62345942
3-(5-propylthiophen-2-yl)-3-pyrrolidin-1-ylpropan-1-ol
CID 83929515
2-(aminomethyl)-1-(5-ethylthiophen-2-yl)-4-methylpentan-1-ol
CID 65187875
2,4-diamino-1-thiophen-3-ylbutan-1-ol
CID 83927672
(1R)-1-(5-ethylthiophen-2-yl)butan-1-amine;hydrochloride
CID 171211735
(1R)-1-(5-ethylthiophen-2-yl)pentane-1,5-diamine;hydrochloride
CID 171211731

Frequently Asked Questions

What is the IUPAC name of 2,4-diamino-1-(5-propylthiophen-2-yl)butan-1-ol?
The IUPAC name of 2,4-diamino-1-(5-propylthiophen-2-yl)butan-1-ol (CID 83929506) is 2,4-diamino-1-(5-propylthiophen-2-yl)butan-1-ol.
What is the SMILES notation for 2,4-diamino-1-(5-propylthiophen-2-yl)butan-1-ol?
The canonical SMILES for 2,4-diamino-1-(5-propylthiophen-2-yl)butan-1-ol is CCCc1ccc(C(O)C(N)CCN)s1.
What is the InChIKey of 2,4-diamino-1-(5-propylthiophen-2-yl)butan-1-ol?
The InChIKey is IFZZYSMDLIYRJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2OS/c1-2-3-8-4-5-10(15-8)11(14)9(13)6-7-12/h4-5,9,11,14H,2-3,6-7,12-13H2,1H3.
What are the key properties of 2,4-diamino-1-(5-propylthiophen-2-yl)butan-1-ol?
2,4-diamino-1-(5-propylthiophen-2-yl)butan-1-ol has a molecular weight of 228.36 g/mol, XLogP of 1.41, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diamino-1-(5-propylthiophen-2-yl)butan-1-ol is sourced from PubChem (CID 83929506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).