N-(butylsulfanylmethyl)propan-1-amine

C8H19NS — CID 126595723

IUPACN-(butylsulfanylmethyl)propan-1-amine
SMILESCCCCSCNCCC
InChIInChI=1S/C8H19NS/c1-3-5-7-10-8-9-6-4-2/h9H,3-8H2,1-2H3
InChIKeyYDFZJEQUAQRXEU-UHFFFAOYSA-N
MW161.31 g/mol
LogP2.48
Rot. Bonds7

About N-(butylsulfanylmethyl)propan-1-amine

N-(butylsulfanylmethyl)propan-1-amine (PubChem CID 126595723) has the molecular formula C8H19NS and a molecular weight of 161.31 g/mol. Its IUPAC name is N-(butylsulfanylmethyl)propan-1-amine.

Molecular Properties

Compound NameN-(butylsulfanylmethyl)propan-1-amine
PubChem CID126595723
Molecular FormulaC8H19NS
Molecular Weight161.31 g/mol
Exact Mass161.12
IUPAC NameN-(butylsulfanylmethyl)propan-1-amine
SMILESCCCCSCNCCC
InChIInChI=1S/C8H19NS/c1-3-5-7-10-8-9-6-4-2/h9H,3-8H2,1-2H3
InChIKeyYDFZJEQUAQRXEU-UHFFFAOYSA-N
XLogP2.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.31
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-propyl-4-propylsulfanylbutan-1-amine
CID 62578177
2-butylsulfanyl-N-(2-dodecylsulfanylethyl)ethanamine
CID 3428035
1-butylsulfanylbutane;hydroiodide
CID 160789075
CID 88794374
CID 88794374
N'-(2-butylsulfanylethyl)ethane-1,2-diamine
CID 11275341
3-butylsulfanyl-N-methylpropan-1-amine
CID 22163545
N-(methylsulfanylmethyl)propan-1-amine;hydrochloride
CID 71359883
2-butylsulfanyl-N-(2-butylsulfanylethyl)ethanamine;oxalic acid
CID 46786043
N,N'-dipropylicosane-1,20-diamine;dihydrobromide
CID 173263708
N'-butyl-N-propylethane-1,2-diamine
CID 54806979
1-(butyldisulfanyl)butane;copper
CID 159977501
N-(2-butylsulfanylethyl)-2-methylpropan-2-amine
CID 61386344

Frequently Asked Questions

What is the IUPAC name of N-(butylsulfanylmethyl)propan-1-amine?
The IUPAC name of N-(butylsulfanylmethyl)propan-1-amine (CID 126595723) is N-(butylsulfanylmethyl)propan-1-amine.
What is the SMILES notation for N-(butylsulfanylmethyl)propan-1-amine?
The canonical SMILES for N-(butylsulfanylmethyl)propan-1-amine is CCCCSCNCCC.
What is the InChIKey of N-(butylsulfanylmethyl)propan-1-amine?
The InChIKey is YDFZJEQUAQRXEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NS/c1-3-5-7-10-8-9-6-4-2/h9H,3-8H2,1-2H3.
What are the key properties of N-(butylsulfanylmethyl)propan-1-amine?
N-(butylsulfanylmethyl)propan-1-amine has a molecular weight of 161.31 g/mol, XLogP of 2.48, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(butylsulfanylmethyl)propan-1-amine is sourced from PubChem (CID 126595723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).