4-[ethyl(propyl)amino]butane-1-thiol

C9H21NS — CID 23362339

IUPAC4-[ethyl(propyl)amino]butane-1-thiol
SMILESCCCN(CC)CCCCS
InChIInChI=1S/C9H21NS/c1-3-7-10(4-2)8-5-6-9-11/h11H,3-9H2,1-2H3
InChIKeyNJSMNNLZGRUMCM-UHFFFAOYSA-N
MW175.34 g/mol
LogP2.43
Rot. Bonds7

About 4-[ethyl(propyl)amino]butane-1-thiol

4-[ethyl(propyl)amino]butane-1-thiol (PubChem CID 23362339) has the molecular formula C9H21NS and a molecular weight of 175.34 g/mol. Its IUPAC name is 4-[ethyl(propyl)amino]butane-1-thiol.

Molecular Properties

Compound Name4-[ethyl(propyl)amino]butane-1-thiol
PubChem CID23362339
Molecular FormulaC9H21NS
Molecular Weight175.34 g/mol
Exact Mass175.14
IUPAC Name4-[ethyl(propyl)amino]butane-1-thiol
SMILESCCCN(CC)CCCCS
InChIInChI=1S/C9H21NS/c1-3-7-10(4-2)8-5-6-9-11/h11H,3-9H2,1-2H3
InChIKeyNJSMNNLZGRUMCM-UHFFFAOYSA-N
XLogP2.43
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.34
LogP ≤ 52.43
H-Bond Donors ≤ 51
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

3-(dipropylamino)propane-1-thiol
CID 19031572
N-ethyl-N-propyldecan-1-amine
CID 56933807
4-[hexyl(pentyl)amino]butane-1-thiol
CID 23362522
N-ethyl-N-propylbutan-1-amine;pentane
CID 143329949
ethane;N-ethyl-N-propylpropan-1-amine;hexane
CID 167521099
N-ethyl-N,N'-di(nonyl)-N'-propylpropane-1,3-diamine
CID 171750142
N,N-diethylbutan-1-amine;N,N-diethylpropan-1-amine
CID 160933502
N-butyl-N-ethylbutan-1-amine;N-ethyl-N-pentylpentan-1-amine
CID 160957267
N'-ethyl-N'-propylpropane-1,3-diamine
CID 43137206
N-ethyl-N,N',N'-tripropylethane-1,2-diamine
CID 88655813
N,N,N'-triethyl-N'-tetradecylpropane-1,3-diamine
CID 19837420
6-[ethyl(propyl)amino]hexan-2-one
CID 43792940

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(propyl)amino]butane-1-thiol?
The IUPAC name of 4-[ethyl(propyl)amino]butane-1-thiol (CID 23362339) is 4-[ethyl(propyl)amino]butane-1-thiol.
What is the SMILES notation for 4-[ethyl(propyl)amino]butane-1-thiol?
The canonical SMILES for 4-[ethyl(propyl)amino]butane-1-thiol is CCCN(CC)CCCCS.
What is the InChIKey of 4-[ethyl(propyl)amino]butane-1-thiol?
The InChIKey is NJSMNNLZGRUMCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NS/c1-3-7-10(4-2)8-5-6-9-11/h11H,3-9H2,1-2H3.
What are the key properties of 4-[ethyl(propyl)amino]butane-1-thiol?
4-[ethyl(propyl)amino]butane-1-thiol has a molecular weight of 175.34 g/mol, XLogP of 2.43, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(propyl)amino]butane-1-thiol is sourced from PubChem (CID 23362339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).