N-butyl-N-tert-butylsulfanylbutan-1-amine

C12H27NS — CID 3028251

IUPACN-butyl-N-tert-butylsulfanylbutan-1-amine
SMILESCCCCN(CCCC)SC(C)(C)C
InChIInChI=1S/C12H27NS/c1-6-8-10-13(11-9-7-2)14-12(3,4)5/h6-11H2,1-5H3
InChIKeyODNHKHGYKKAJQN-UHFFFAOYSA-N
MW217.42 g/mol
LogP4.34
Rot. Bonds7

About N-butyl-N-tert-butylsulfanylbutan-1-amine

N-butyl-N-tert-butylsulfanylbutan-1-amine (PubChem CID 3028251) has the molecular formula C12H27NS and a molecular weight of 217.42 g/mol. Its IUPAC name is N-butyl-N-tert-butylsulfanylbutan-1-amine.

Molecular Properties

Compound NameN-butyl-N-tert-butylsulfanylbutan-1-amine
PubChem CID3028251
Molecular FormulaC12H27NS
Molecular Weight217.42 g/mol
Exact Mass217.19
IUPAC NameN-butyl-N-tert-butylsulfanylbutan-1-amine
SMILESCCCCN(CCCC)SC(C)(C)C
InChIInChI=1S/C12H27NS/c1-6-8-10-13(11-9-7-2)14-12(3,4)5/h6-11H2,1-5H3
InChIKeyODNHKHGYKKAJQN-UHFFFAOYSA-N
XLogP4.34
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.42
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N-ditert-butylhexadecan-1-amine
CID 138920579
1-tert-butylsulfanylhexane
CID 12957071
N-butyl-2-methyl-N-(2-methylbutan-2-yl)butan-2-amine
CID 139723099
N-(cyclopropylmethyl)-N-methylsulfanylbutan-1-amine
CID 155007280
N,N-dibutylbutan-1-amine;trihydrate
CID 173345147
N,N-dibutylbutan-1-amine;tetrahydrate
CID 172865997
N,N,N',N'-tetrabutylethane-1,2-diamine
CID 5224972
1,1,2,2-tetrabutylhydrazine;hydrate
CID 172702997
1-tert-butylsulfanylbutane;triiodovanadium
CID 157432361
N-butyl-N,4,4-trimethylpentan-1-amine
CID 58300817
1-[butyl-(2-hydroxy-2-methylpropyl)amino]-2-methylpropan-2-ol
CID 90370489
N-tert-butyl-N-methylbutan-1-amine;2-methylpropane
CID 158127405

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-tert-butylsulfanylbutan-1-amine?
The IUPAC name of N-butyl-N-tert-butylsulfanylbutan-1-amine (CID 3028251) is N-butyl-N-tert-butylsulfanylbutan-1-amine.
What is the SMILES notation for N-butyl-N-tert-butylsulfanylbutan-1-amine?
The canonical SMILES for N-butyl-N-tert-butylsulfanylbutan-1-amine is CCCCN(CCCC)SC(C)(C)C.
What is the InChIKey of N-butyl-N-tert-butylsulfanylbutan-1-amine?
The InChIKey is ODNHKHGYKKAJQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NS/c1-6-8-10-13(11-9-7-2)14-12(3,4)5/h6-11H2,1-5H3.
What are the key properties of N-butyl-N-tert-butylsulfanylbutan-1-amine?
N-butyl-N-tert-butylsulfanylbutan-1-amine has a molecular weight of 217.42 g/mol, XLogP of 4.34, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-tert-butylsulfanylbutan-1-amine is sourced from PubChem (CID 3028251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).