1-(ethylamino)-5,7-dimethyl-6-propyldecane-3-thiol

C17H37NS — CID 123563855

IUPAC1-(ethylamino)-5,7-dimethyl-6-propyldecane-3-thiol
SMILESCCCC(C)C(CCC)C(C)CC(S)CCNCC
InChIInChI=1S/C17H37NS/c1-6-9-14(4)17(10-7-2)15(5)13-16(19)11-12-18-8-3/h14-19H,6-13H2,1-5H3
InChIKeyQVMPFWWDDTZCQJ-UHFFFAOYSA-N
MW287.56 g/mol
LogP5.16
Rot. Bonds12

About 1-(ethylamino)-5,7-dimethyl-6-propyldecane-3-thiol

1-(ethylamino)-5,7-dimethyl-6-propyldecane-3-thiol (PubChem CID 123563855) has the molecular formula C17H37NS and a molecular weight of 287.56 g/mol. Its IUPAC name is 1-(ethylamino)-5,7-dimethyl-6-propyldecane-3-thiol.

Molecular Properties

Compound Name1-(ethylamino)-5,7-dimethyl-6-propyldecane-3-thiol
PubChem CID123563855
Molecular FormulaC17H37NS
Molecular Weight287.56 g/mol
Exact Mass287.26
IUPAC Name1-(ethylamino)-5,7-dimethyl-6-propyldecane-3-thiol
SMILESCCCC(C)C(CCC)C(C)CC(S)CCNCC
InChIInChI=1S/C17H37NS/c1-6-9-14(4)17(10-7-2)15(5)13-16(19)11-12-18-8-3/h14-19H,6-13H2,1-5H3
InChIKeyQVMPFWWDDTZCQJ-UHFFFAOYSA-N
XLogP5.16
TPSA12.03 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.56
LogP ≤ 55.16
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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Related Compounds

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CID 142660099
3-chloro-N-ethylbutan-1-amine
CID 65024849
N-ethylpropan-1-amine;2-methylpentane
CID 171506483
N-ethyl-3-methyl-N'-propylpentane-1,5-diamine
CID 163901497
N-ethylpropan-1-amine;methanethiol;propane
CID 143432965
N-ethyl-3-methyl-2-(2-methylpropyl)hexan-1-amine
CID 107897106
acetaldehyde;ethane;N-ethyl-3-methyl-4-propylheptan-1-amine;2-methoxy-2-methylpropane
CID 155571511
1-(butylamino)pentane-3-thiol
CID 57210111
2-methyl-1-sulfanylpentan-1-ol
CID 154061587
4-(ethylamino)-2-methylbutan-1-ol
CID 55288287
heptane-4-thiol
CID 12627260
N-ethyl-2-methylsilylethanamine
CID 123186146

Frequently Asked Questions

What is the IUPAC name of 1-(ethylamino)-5,7-dimethyl-6-propyldecane-3-thiol?
The IUPAC name of 1-(ethylamino)-5,7-dimethyl-6-propyldecane-3-thiol (CID 123563855) is 1-(ethylamino)-5,7-dimethyl-6-propyldecane-3-thiol.
What is the SMILES notation for 1-(ethylamino)-5,7-dimethyl-6-propyldecane-3-thiol?
The canonical SMILES for 1-(ethylamino)-5,7-dimethyl-6-propyldecane-3-thiol is CCCC(C)C(CCC)C(C)CC(S)CCNCC.
What is the InChIKey of 1-(ethylamino)-5,7-dimethyl-6-propyldecane-3-thiol?
The InChIKey is QVMPFWWDDTZCQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37NS/c1-6-9-14(4)17(10-7-2)15(5)13-16(19)11-12-18-8-3/h14-19H,6-13H2,1-5H3.
What are the key properties of 1-(ethylamino)-5,7-dimethyl-6-propyldecane-3-thiol?
1-(ethylamino)-5,7-dimethyl-6-propyldecane-3-thiol has a molecular weight of 287.56 g/mol, XLogP of 5.16, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylamino)-5,7-dimethyl-6-propyldecane-3-thiol is sourced from PubChem (CID 123563855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).