2-(ethylamino)-2-methyl-6-propan-2-ylsulfanylhexan-1-ol

C12H27NOS — CID 64808310

IUPAC2-(ethylamino)-2-methyl-6-propan-2-ylsulfanylhexan-1-ol
SMILESCCNC(C)(CO)CCCCSC(C)C
InChIInChI=1S/C12H27NOS/c1-5-13-12(4,10-14)8-6-7-9-15-11(2)3/h11,13-14H,5-10H2,1-4H3
InChIKeyMSOSIIIKIOILAC-UHFFFAOYSA-N
MW233.42 g/mol
LogP2.66
Rot. Bonds9

About 2-(ethylamino)-2-methyl-6-propan-2-ylsulfanylhexan-1-ol

2-(ethylamino)-2-methyl-6-propan-2-ylsulfanylhexan-1-ol (PubChem CID 64808310) has the molecular formula C12H27NOS and a molecular weight of 233.42 g/mol. Its IUPAC name is 2-(ethylamino)-2-methyl-6-propan-2-ylsulfanylhexan-1-ol.

Molecular Properties

Compound Name2-(ethylamino)-2-methyl-6-propan-2-ylsulfanylhexan-1-ol
PubChem CID64808310
Molecular FormulaC12H27NOS
Molecular Weight233.42 g/mol
Exact Mass233.18
IUPAC Name2-(ethylamino)-2-methyl-6-propan-2-ylsulfanylhexan-1-ol
SMILESCCNC(C)(CO)CCCCSC(C)C
InChIInChI=1S/C12H27NOS/c1-5-13-12(4,10-14)8-6-7-9-15-11(2)3/h11,13-14H,5-10H2,1-4H3
InChIKeyMSOSIIIKIOILAC-UHFFFAOYSA-N
XLogP2.66
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.42
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(ethylamino)-2-methyl-6-(4-methylpentoxy)hexan-1-ol
CID 64802741
6-[butan-2-yl(butyl)amino]-2-(ethylamino)-2-methylhexan-1-ol
CID 64827639
2-(ethylamino)-6-hexoxy-2-methylhexan-1-ol
CID 64811638
2-(ethylamino)-6-(2-methoxyphenyl)sulfanyl-2-methylhexan-1-ol
CID 64821924
6-(2,4-difluorophenyl)sulfanyl-2-(ethylamino)-2-methylhexan-1-ol
CID 64820158
2-(ethylamino)-5-methoxy-2-methylpentan-1-ol
CID 64804916
2-(ethylamino)-6-[2-methoxyethyl(propan-2-yl)amino]-2-methylhexan-1-ol
CID 82965249
2-(ethylamino)-2-methyl-4-propan-2-yloxybutan-1-ol
CID 64803827
2-(ethylamino)-2-methyl-5-(2-propan-2-yloxyethoxy)pentan-1-ol
CID 64805300
2-(ethylamino)-2-methyl-5-[2-methylpropyl(propan-2-yl)amino]pentan-1-ol
CID 64828003
2-(ethylamino)-2-methyl-6-(1,3,4-thiadiazol-2-ylsulfanyl)hexan-1-ol
CID 64806619
N-ethyl-7-methyltetradecan-7-amine
CID 593697

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-2-methyl-6-propan-2-ylsulfanylhexan-1-ol?
The IUPAC name of 2-(ethylamino)-2-methyl-6-propan-2-ylsulfanylhexan-1-ol (CID 64808310) is 2-(ethylamino)-2-methyl-6-propan-2-ylsulfanylhexan-1-ol.
What is the SMILES notation for 2-(ethylamino)-2-methyl-6-propan-2-ylsulfanylhexan-1-ol?
The canonical SMILES for 2-(ethylamino)-2-methyl-6-propan-2-ylsulfanylhexan-1-ol is CCNC(C)(CO)CCCCSC(C)C.
What is the InChIKey of 2-(ethylamino)-2-methyl-6-propan-2-ylsulfanylhexan-1-ol?
The InChIKey is MSOSIIIKIOILAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NOS/c1-5-13-12(4,10-14)8-6-7-9-15-11(2)3/h11,13-14H,5-10H2,1-4H3.
What are the key properties of 2-(ethylamino)-2-methyl-6-propan-2-ylsulfanylhexan-1-ol?
2-(ethylamino)-2-methyl-6-propan-2-ylsulfanylhexan-1-ol has a molecular weight of 233.42 g/mol, XLogP of 2.66, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-2-methyl-6-propan-2-ylsulfanylhexan-1-ol is sourced from PubChem (CID 64808310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).