N-(disulfanylmethyl)-N-methyl-4-propan-2-yloxycyclohexan-1-amine

C11H23NOS2 — CID 167191841

IUPACN-(disulfanylmethyl)-N-methyl-4-propan-2-yloxycyclohexan-1-amine
SMILESCC(C)OC1CCC(N(C)CSS)CC1
InChIInChI=1S/C11H23NOS2/c1-9(2)13-11-6-4-10(5-7-11)12(3)8-15-14/h9-11,14H,4-8H2,1-3H3
InChIKeyXXMVDOUORBPPET-UHFFFAOYSA-N
MW249.44 g/mol
LogP3.19
Rot. Bonds5

About N-(disulfanylmethyl)-N-methyl-4-propan-2-yloxycyclohexan-1-amine

N-(disulfanylmethyl)-N-methyl-4-propan-2-yloxycyclohexan-1-amine (PubChem CID 167191841) has the molecular formula C11H23NOS2 and a molecular weight of 249.44 g/mol. Its IUPAC name is N-(disulfanylmethyl)-N-methyl-4-propan-2-yloxycyclohexan-1-amine.

Molecular Properties

Compound NameN-(disulfanylmethyl)-N-methyl-4-propan-2-yloxycyclohexan-1-amine
PubChem CID167191841
Molecular FormulaC11H23NOS2
Molecular Weight249.44 g/mol
Exact Mass249.12
IUPAC NameN-(disulfanylmethyl)-N-methyl-4-propan-2-yloxycyclohexan-1-amine
SMILESCC(C)OC1CCC(N(C)CSS)CC1
InChIInChI=1S/C11H23NOS2/c1-9(2)13-11-6-4-10(5-7-11)12(3)8-15-14/h9-11,14H,4-8H2,1-3H3
InChIKeyXXMVDOUORBPPET-UHFFFAOYSA-N
XLogP3.19
TPSA12.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.44
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

1-(4-propan-2-yloxycyclohexyl)ethylphosphane
CID 71124191
1-propan-2-yl-4-propan-2-yloxycyclohexane
CID 18386923
1-butan-2-yl-4-propan-2-yloxycyclohexane
CID 23528463
propan-2-yloxycycloundecane
CID 91254526
ethane;propan-2-yloxycyclobutane;propan-2-yloxycyclohexane;propan-2-yloxycyclopropane
CID 158392294
1-propan-2-yloxy-4-[2-(4-propan-2-yloxycyclohexyl)propan-2-yl]cyclohexane
CID 140623503
N-methyl-4-methylsulfanyloxy-N-propylcyclohexan-1-amine
CID 155405400
4-butan-2-ylcyclohexan-1-ol;1-butan-2-yl-4-propan-2-yloxycyclohexane
CID 54535850
1-cyclopropyl-1-methyl-2-(3-propan-2-yloxycyclobutyl)guanidine
CID 122098510
4-ethoxy-N-methyl-N-propylcyclohexan-1-amine
CID 166800579
4-[2-(dimethylamino)-2-(1-hydroxy-4-propan-2-yloxycyclohexyl)ethyl]phenol
CID 69307281
1-(3-methylbutoxymethyl)-4-propan-2-yloxycyclohexane
CID 178085895

Frequently Asked Questions

What is the IUPAC name of N-(disulfanylmethyl)-N-methyl-4-propan-2-yloxycyclohexan-1-amine?
The IUPAC name of N-(disulfanylmethyl)-N-methyl-4-propan-2-yloxycyclohexan-1-amine (CID 167191841) is N-(disulfanylmethyl)-N-methyl-4-propan-2-yloxycyclohexan-1-amine.
What is the SMILES notation for N-(disulfanylmethyl)-N-methyl-4-propan-2-yloxycyclohexan-1-amine?
The canonical SMILES for N-(disulfanylmethyl)-N-methyl-4-propan-2-yloxycyclohexan-1-amine is CC(C)OC1CCC(N(C)CSS)CC1.
What is the InChIKey of N-(disulfanylmethyl)-N-methyl-4-propan-2-yloxycyclohexan-1-amine?
The InChIKey is XXMVDOUORBPPET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NOS2/c1-9(2)13-11-6-4-10(5-7-11)12(3)8-15-14/h9-11,14H,4-8H2,1-3H3.
What are the key properties of N-(disulfanylmethyl)-N-methyl-4-propan-2-yloxycyclohexan-1-amine?
N-(disulfanylmethyl)-N-methyl-4-propan-2-yloxycyclohexan-1-amine has a molecular weight of 249.44 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(disulfanylmethyl)-N-methyl-4-propan-2-yloxycyclohexan-1-amine is sourced from PubChem (CID 167191841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).