N,N-dimethylcyclohexanamine;ethane;methylsulfanylcyclohexane

C17H37NS — CID 143165895

IUPACN,N-dimethylcyclohexanamine;ethane;methylsulfanylcyclohexane
SMILESCC.CN(C)C1CCCCC1.CSC1CCCCC1
InChIInChI=1S/C8H17N.C7H14S.C2H6/c1-9(2)8-6-4-3-5-7-8;1-8-7-5-3-2-4-6-7;1-2/h8H,3-7H2,1-2H3;7H,2-6H2,1H3;1-2H3
InChIKeyXPKZKCMDUXRTPW-UHFFFAOYSA-N
MW287.56 g/mol
LogP5.59
Rot. Bonds2

About N,N-dimethylcyclohexanamine;ethane;methylsulfanylcyclohexane

N,N-dimethylcyclohexanamine;ethane;methylsulfanylcyclohexane (PubChem CID 143165895) has the molecular formula C17H37NS and a molecular weight of 287.56 g/mol. Its IUPAC name is N,N-dimethylcyclohexanamine;ethane;methylsulfanylcyclohexane.

Molecular Properties

Compound NameN,N-dimethylcyclohexanamine;ethane;methylsulfanylcyclohexane
PubChem CID143165895
Molecular FormulaC17H37NS
Molecular Weight287.56 g/mol
Exact Mass287.26
IUPAC NameN,N-dimethylcyclohexanamine;ethane;methylsulfanylcyclohexane
SMILESCC.CN(C)C1CCCCC1.CSC1CCCCC1
InChIInChI=1S/C8H17N.C7H14S.C2H6/c1-9(2)8-6-4-3-5-7-8;1-8-7-5-3-2-4-6-7;1-2/h8H,3-7H2,1-2H3;7H,2-6H2,1H3;1-2H3
InChIKeyXPKZKCMDUXRTPW-UHFFFAOYSA-N
XLogP5.59
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.56
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 143239211
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CID 142054055
boric acid;tris(N,N-dimethylcyclohexanamine)
CID 172846334
methylsulfanylcyclopropane
CID 12678402
N-cyclobutyl-N-methylcyclohexanamine
CID 90984290
trans-(1S,3S)-1-N,1-N,3-N,3-N-tetramethylcyclohexane-1,3-diamine
CID 101240385
N,N-dimethylcyclohexanamine;pyridine
CID 122704912
1-cyclopentyl-4-methylsulfanylcyclohexane
CID 152799739
N-cyclopropyl-N-methylcyclooctanamine
CID 67119180
ethane;N-ethyl-N-methylcyclohexanamine
CID 143070425
N-cyclopropyl-N-methylcyclohexanamine;hydrochloride
CID 67002847

Frequently Asked Questions

What is the IUPAC name of N,N-dimethylcyclohexanamine;ethane;methylsulfanylcyclohexane?
The IUPAC name of N,N-dimethylcyclohexanamine;ethane;methylsulfanylcyclohexane (CID 143165895) is N,N-dimethylcyclohexanamine;ethane;methylsulfanylcyclohexane.
What is the SMILES notation for N,N-dimethylcyclohexanamine;ethane;methylsulfanylcyclohexane?
The canonical SMILES for N,N-dimethylcyclohexanamine;ethane;methylsulfanylcyclohexane is CC.CN(C)C1CCCCC1.CSC1CCCCC1.
What is the InChIKey of N,N-dimethylcyclohexanamine;ethane;methylsulfanylcyclohexane?
The InChIKey is XPKZKCMDUXRTPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N.C7H14S.C2H6/c1-9(2)8-6-4-3-5-7-8;1-8-7-5-3-2-4-6-7;1-2/h8H,3-7H2,1-2H3;7H,2-6H2,1H3;1-2H3.
What are the key properties of N,N-dimethylcyclohexanamine;ethane;methylsulfanylcyclohexane?
N,N-dimethylcyclohexanamine;ethane;methylsulfanylcyclohexane has a molecular weight of 287.56 g/mol, XLogP of 5.59, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylcyclohexanamine;ethane;methylsulfanylcyclohexane is sourced from PubChem (CID 143165895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).