3-(2,6-dimethylheptan-4-ylamino)-2-methylsulfanylbutan-1-ol

C14H31NOS — CID 103785156

IUPAC3-(2,6-dimethylheptan-4-ylamino)-2-methylsulfanylbutan-1-ol
SMILESCSC(CO)C(C)NC(CC(C)C)CC(C)C
InChIInChI=1S/C14H31NOS/c1-10(2)7-13(8-11(3)4)15-12(5)14(9-16)17-6/h10-16H,7-9H2,1-6H3
InChIKeyUDDXKADJFQRGNL-UHFFFAOYSA-N
MW261.47 g/mol
LogP3.15
Rot. Bonds9

About 3-(2,6-dimethylheptan-4-ylamino)-2-methylsulfanylbutan-1-ol

3-(2,6-dimethylheptan-4-ylamino)-2-methylsulfanylbutan-1-ol (PubChem CID 103785156) has the molecular formula C14H31NOS and a molecular weight of 261.47 g/mol. Its IUPAC name is 3-(2,6-dimethylheptan-4-ylamino)-2-methylsulfanylbutan-1-ol.

Molecular Properties

Compound Name3-(2,6-dimethylheptan-4-ylamino)-2-methylsulfanylbutan-1-ol
PubChem CID103785156
Molecular FormulaC14H31NOS
Molecular Weight261.47 g/mol
Exact Mass261.21
IUPAC Name3-(2,6-dimethylheptan-4-ylamino)-2-methylsulfanylbutan-1-ol
SMILESCSC(CO)C(C)NC(CC(C)C)CC(C)C
InChIInChI=1S/C14H31NOS/c1-10(2)7-13(8-11(3)4)15-12(5)14(9-16)17-6/h10-16H,7-9H2,1-6H3
InChIKeyUDDXKADJFQRGNL-UHFFFAOYSA-N
XLogP3.15
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.47
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethylheptan-4-ylamino)-2-methylsulfanylbutan-1-ol?
The IUPAC name of 3-(2,6-dimethylheptan-4-ylamino)-2-methylsulfanylbutan-1-ol (CID 103785156) is 3-(2,6-dimethylheptan-4-ylamino)-2-methylsulfanylbutan-1-ol.
What is the SMILES notation for 3-(2,6-dimethylheptan-4-ylamino)-2-methylsulfanylbutan-1-ol?
The canonical SMILES for 3-(2,6-dimethylheptan-4-ylamino)-2-methylsulfanylbutan-1-ol is CSC(CO)C(C)NC(CC(C)C)CC(C)C.
What is the InChIKey of 3-(2,6-dimethylheptan-4-ylamino)-2-methylsulfanylbutan-1-ol?
The InChIKey is UDDXKADJFQRGNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NOS/c1-10(2)7-13(8-11(3)4)15-12(5)14(9-16)17-6/h10-16H,7-9H2,1-6H3.
What are the key properties of 3-(2,6-dimethylheptan-4-ylamino)-2-methylsulfanylbutan-1-ol?
3-(2,6-dimethylheptan-4-ylamino)-2-methylsulfanylbutan-1-ol has a molecular weight of 261.47 g/mol, XLogP of 3.15, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethylheptan-4-ylamino)-2-methylsulfanylbutan-1-ol is sourced from PubChem (CID 103785156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).