N,N-bis(2-butylsulfanylethyl)butan-1-amine

C16H35NS2 — CID 5071459

IUPACN,N-bis(2-butylsulfanylethyl)butan-1-amine
SMILESCCCCSCCN(CCCC)CCSCCCC
InChIInChI=1S/C16H35NS2/c1-4-7-10-17(11-15-18-13-8-5-2)12-16-19-14-9-6-3/h4-16H2,1-3H3
InChIKeyNFOBMOJKDFXIMT-UHFFFAOYSA-N
MW305.60 g/mol
LogP5.16
Rot. Bonds15

About N,N-bis(2-butylsulfanylethyl)butan-1-amine

N,N-bis(2-butylsulfanylethyl)butan-1-amine (PubChem CID 5071459) has the molecular formula C16H35NS2 and a molecular weight of 305.60 g/mol. Its IUPAC name is N,N-bis(2-butylsulfanylethyl)butan-1-amine.

Molecular Properties

Compound NameN,N-bis(2-butylsulfanylethyl)butan-1-amine
PubChem CID5071459
Molecular FormulaC16H35NS2
Molecular Weight305.60 g/mol
Exact Mass305.22
IUPAC NameN,N-bis(2-butylsulfanylethyl)butan-1-amine
SMILESCCCCSCCN(CCCC)CCSCCCC
InChIInChI=1S/C16H35NS2/c1-4-7-10-17(11-15-18-13-8-5-2)12-16-19-14-9-6-3/h4-16H2,1-3H3
InChIKeyNFOBMOJKDFXIMT-UHFFFAOYSA-N
XLogP5.16
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.60
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N-dibutylbutan-1-amine;trihydrate
CID 173345147
1-butylsulfanylbutane;hydroiodide
CID 160789075
N,N-dibutylbutan-1-amine;tetrahydrate
CID 172865997
N,N,N',N'-tetrabutylethane-1,2-diamine
CID 5224972
CID 88794374
CID 88794374
bromomethane;N,N-dibutylbutan-1-amine
CID 87916924
N,N-dibutylbutan-1-amine;hydrogen peroxide
CID 87070191
N,N-dibutylbutan-1-amine;molecular hydrogen
CID 174513596
N',N'-bis(3-dodecylsulfanylpropyl)-N,N-dimethylpropane-1,3-diamine
CID 118643400
N-butyl-N-dodecyldodecan-1-amine;ethane
CID 177188855
N-butyl-N-undecyldodecan-1-amine
CID 168880724
N,N-dibutylpentadecan-1-amine
CID 4175227

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-butylsulfanylethyl)butan-1-amine?
The IUPAC name of N,N-bis(2-butylsulfanylethyl)butan-1-amine (CID 5071459) is N,N-bis(2-butylsulfanylethyl)butan-1-amine.
What is the SMILES notation for N,N-bis(2-butylsulfanylethyl)butan-1-amine?
The canonical SMILES for N,N-bis(2-butylsulfanylethyl)butan-1-amine is CCCCSCCN(CCCC)CCSCCCC.
What is the InChIKey of N,N-bis(2-butylsulfanylethyl)butan-1-amine?
The InChIKey is NFOBMOJKDFXIMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35NS2/c1-4-7-10-17(11-15-18-13-8-5-2)12-16-19-14-9-6-3/h4-16H2,1-3H3.
What are the key properties of N,N-bis(2-butylsulfanylethyl)butan-1-amine?
N,N-bis(2-butylsulfanylethyl)butan-1-amine has a molecular weight of 305.60 g/mol, XLogP of 5.16, 15 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-butylsulfanylethyl)butan-1-amine is sourced from PubChem (CID 5071459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).