2-cycloheptyl-2-cyclohexylsulfanylethanamine

C15H29NS — CID 82931571

IUPAC2-cycloheptyl-2-cyclohexylsulfanylethanamine
SMILESNCC(SC1CCCCC1)C1CCCCCC1
InChIInChI=1S/C15H29NS/c16-12-15(13-8-4-1-2-5-9-13)17-14-10-6-3-7-11-14/h13-15H,1-12,16H2
InChIKeyRWZIMRBCQMAZPE-UHFFFAOYSA-N
MW255.47 g/mol
LogP4.35
Rot. Bonds4

About 2-cycloheptyl-2-cyclohexylsulfanylethanamine

2-cycloheptyl-2-cyclohexylsulfanylethanamine (PubChem CID 82931571) has the molecular formula C15H29NS and a molecular weight of 255.47 g/mol. Its IUPAC name is 2-cycloheptyl-2-cyclohexylsulfanylethanamine.

Molecular Properties

Compound Name2-cycloheptyl-2-cyclohexylsulfanylethanamine
PubChem CID82931571
Molecular FormulaC15H29NS
Molecular Weight255.47 g/mol
Exact Mass255.20
IUPAC Name2-cycloheptyl-2-cyclohexylsulfanylethanamine
SMILESNCC(SC1CCCCC1)C1CCCCCC1
InChIInChI=1S/C15H29NS/c16-12-15(13-8-4-1-2-5-9-13)17-14-10-6-3-7-11-14/h13-15H,1-12,16H2
InChIKeyRWZIMRBCQMAZPE-UHFFFAOYSA-N
XLogP4.35
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.47
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopentyl-2-ethylsulfanylethanamine
CID 82931270
2-cycloheptyl-2-(2-methylpropylsulfanyl)ethanamine
CID 82932340
2-amino-1-cyclopentylethanethiol
CID 116868701
3-cyclohexylsulfanylbutan-1-amine
CID 60913150
2-(2-chlorophenyl)sulfanyl-2-cyclohexylethanamine
CID 82931377
(2S)-2-cycloheptylpropan-1-amine
CID 96634967
1-cyclohexylsulfanylethanamine
CID 22450260
2-cyclopentyl-2-(4-fluorophenyl)sulfanylethanamine
CID 82932342
cyclohexylsulfanylmethanamine
CID 18729999
(1S)-1-cyclopentylethane-1,2-diamine
CID 55292792
2-cyclohexylpropan-1-amine;hydrochloride
CID 24837056
2-(4-bromophenyl)-2-cyclohexylsulfanylethanamine
CID 55015755

Frequently Asked Questions

What is the IUPAC name of 2-cycloheptyl-2-cyclohexylsulfanylethanamine?
The IUPAC name of 2-cycloheptyl-2-cyclohexylsulfanylethanamine (CID 82931571) is 2-cycloheptyl-2-cyclohexylsulfanylethanamine.
What is the SMILES notation for 2-cycloheptyl-2-cyclohexylsulfanylethanamine?
The canonical SMILES for 2-cycloheptyl-2-cyclohexylsulfanylethanamine is NCC(SC1CCCCC1)C1CCCCCC1.
What is the InChIKey of 2-cycloheptyl-2-cyclohexylsulfanylethanamine?
The InChIKey is RWZIMRBCQMAZPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NS/c16-12-15(13-8-4-1-2-5-9-13)17-14-10-6-3-7-11-14/h13-15H,1-12,16H2.
What are the key properties of 2-cycloheptyl-2-cyclohexylsulfanylethanamine?
2-cycloheptyl-2-cyclohexylsulfanylethanamine has a molecular weight of 255.47 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cycloheptyl-2-cyclohexylsulfanylethanamine is sourced from PubChem (CID 82931571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).