2-ethyl-2-methyl-5-(methylamino)pentane-1-thiol

C9H21NS — CID 126707397

IUPAC2-ethyl-2-methyl-5-(methylamino)pentane-1-thiol
SMILESCCC(C)(CS)CCCNC
InChIInChI=1S/C9H21NS/c1-4-9(2,8-11)6-5-7-10-3/h10-11H,4-8H2,1-3H3
InChIKeyCVJYZBAUZGYIQH-UHFFFAOYSA-N
MW175.34 g/mol
LogP2.33
Rot. Bonds6

About 2-ethyl-2-methyl-5-(methylamino)pentane-1-thiol

2-ethyl-2-methyl-5-(methylamino)pentane-1-thiol (PubChem CID 126707397) has the molecular formula C9H21NS and a molecular weight of 175.34 g/mol. Its IUPAC name is 2-ethyl-2-methyl-5-(methylamino)pentane-1-thiol.

Molecular Properties

Compound Name2-ethyl-2-methyl-5-(methylamino)pentane-1-thiol
PubChem CID126707397
Molecular FormulaC9H21NS
Molecular Weight175.34 g/mol
Exact Mass175.14
IUPAC Name2-ethyl-2-methyl-5-(methylamino)pentane-1-thiol
SMILESCCC(C)(CS)CCCNC
InChIInChI=1S/C9H21NS/c1-4-9(2,8-11)6-5-7-10-3/h10-11H,4-8H2,1-3H3
InChIKeyCVJYZBAUZGYIQH-UHFFFAOYSA-N
XLogP2.33
TPSA12.03 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.34
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-methyl-5-(methylamino)pentane-1-thiol?
The IUPAC name of 2-ethyl-2-methyl-5-(methylamino)pentane-1-thiol (CID 126707397) is 2-ethyl-2-methyl-5-(methylamino)pentane-1-thiol.
What is the SMILES notation for 2-ethyl-2-methyl-5-(methylamino)pentane-1-thiol?
The canonical SMILES for 2-ethyl-2-methyl-5-(methylamino)pentane-1-thiol is CCC(C)(CS)CCCNC.
What is the InChIKey of 2-ethyl-2-methyl-5-(methylamino)pentane-1-thiol?
The InChIKey is CVJYZBAUZGYIQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NS/c1-4-9(2,8-11)6-5-7-10-3/h10-11H,4-8H2,1-3H3.
What are the key properties of 2-ethyl-2-methyl-5-(methylamino)pentane-1-thiol?
2-ethyl-2-methyl-5-(methylamino)pentane-1-thiol has a molecular weight of 175.34 g/mol, XLogP of 2.33, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-methyl-5-(methylamino)pentane-1-thiol is sourced from PubChem (CID 126707397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).