N-butylsulfanyl-2-cyclohexylethanamine;cyclopropane

C15H31NS — CID 142306580

IUPACN-butylsulfanyl-2-cyclohexylethanamine;cyclopropane
SMILESC1CC1.CCCCSNCCC1CCCCC1
InChIInChI=1S/C12H25NS.C3H6/c1-2-3-11-14-13-10-9-12-7-5-4-6-8-12;1-2-3-1/h12-13H,2-11H2,1H3;1-3H2
InChIKeySUEIPJBSLHFNAE-UHFFFAOYSA-N
MW257.49 g/mol
LogP5.16
Rot. Bonds7

About N-butylsulfanyl-2-cyclohexylethanamine;cyclopropane

N-butylsulfanyl-2-cyclohexylethanamine;cyclopropane (PubChem CID 142306580) has the molecular formula C15H31NS and a molecular weight of 257.49 g/mol. Its IUPAC name is N-butylsulfanyl-2-cyclohexylethanamine;cyclopropane.

Molecular Properties

Compound NameN-butylsulfanyl-2-cyclohexylethanamine;cyclopropane
PubChem CID142306580
Molecular FormulaC15H31NS
Molecular Weight257.49 g/mol
Exact Mass257.22
IUPAC NameN-butylsulfanyl-2-cyclohexylethanamine;cyclopropane
SMILESC1CC1.CCCCSNCCC1CCCCC1
InChIInChI=1S/C12H25NS.C3H6/c1-2-3-11-14-13-10-9-12-7-5-4-6-8-12;1-2-3-1/h12-13H,2-11H2,1H3;1-3H2
InChIKeySUEIPJBSLHFNAE-UHFFFAOYSA-N
XLogP5.16
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500257.49
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tetradecylcycloundecane
CID 169026040
docosylcyclohexane
CID 521991
octylcyclotetradecane
CID 175261841
tetradecylcyclododecane
CID 169026037
N-(2-cyclohexylethyl)butan-1-amine;hydrochloride
CID 57440786
2-cyclopentyl-N-methylsulfanylethanamine;1-iodobutane;propane
CID 142306559
2-heptylsulfanylethylcyclohexane
CID 557257
butylcyclohexane;N-methylmethanamine
CID 174941558
azane;heptylcyclohexane
CID 121434222
ethene;pentylcyclopentane
CID 145442606
propylcyclotetradecane
CID 90991550
CID 171376493
CID 171376493

Frequently Asked Questions

What is the IUPAC name of N-butylsulfanyl-2-cyclohexylethanamine;cyclopropane?
The IUPAC name of N-butylsulfanyl-2-cyclohexylethanamine;cyclopropane (CID 142306580) is N-butylsulfanyl-2-cyclohexylethanamine;cyclopropane.
What is the SMILES notation for N-butylsulfanyl-2-cyclohexylethanamine;cyclopropane?
The canonical SMILES for N-butylsulfanyl-2-cyclohexylethanamine;cyclopropane is C1CC1.CCCCSNCCC1CCCCC1.
What is the InChIKey of N-butylsulfanyl-2-cyclohexylethanamine;cyclopropane?
The InChIKey is SUEIPJBSLHFNAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NS.C3H6/c1-2-3-11-14-13-10-9-12-7-5-4-6-8-12;1-2-3-1/h12-13H,2-11H2,1H3;1-3H2.
What are the key properties of N-butylsulfanyl-2-cyclohexylethanamine;cyclopropane?
N-butylsulfanyl-2-cyclohexylethanamine;cyclopropane has a molecular weight of 257.49 g/mol, XLogP of 5.16, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butylsulfanyl-2-cyclohexylethanamine;cyclopropane is sourced from PubChem (CID 142306580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).