3,5-dimethyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-propylcyclohexan-1-amine

C14H25N3OS — CID 64735982

IUPAC3,5-dimethyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-propylcyclohexan-1-amine
SMILESCCCNC1CC(C)CC(C)C1Sc1nnc(C)o1
InChIInChI=1S/C14H25N3OS/c1-5-6-15-12-8-9(2)7-10(3)13(12)19-14-17-16-11(4)18-14/h9-10,12-13,15H,5-8H2,1-4H3
InChIKeyJMLWAEPXPYMYPN-UHFFFAOYSA-N
MW283.44 g/mol
LogP3.27
Rot. Bonds5

About 3,5-dimethyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-propylcyclohexan-1-amine

3,5-dimethyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-propylcyclohexan-1-amine (PubChem CID 64735982) has the molecular formula C14H25N3OS and a molecular weight of 283.44 g/mol. Its IUPAC name is 3,5-dimethyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name3,5-dimethyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-propylcyclohexan-1-amine
PubChem CID64735982
Molecular FormulaC14H25N3OS
Molecular Weight283.44 g/mol
Exact Mass283.17
IUPAC Name3,5-dimethyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-propylcyclohexan-1-amine
SMILESCCCNC1CC(C)CC(C)C1Sc1nnc(C)o1
InChIInChI=1S/C14H25N3OS/c1-5-6-15-12-8-9(2)7-10(3)13(12)19-14-17-16-11(4)18-14/h9-10,12-13,15H,5-8H2,1-4H3
InChIKeyJMLWAEPXPYMYPN-UHFFFAOYSA-N
XLogP3.27
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3,5-dimethyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-propylcyclohexan-1-amine with MolForge

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Related Compounds

3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-propylcyclohexan-1-amine
CID 64722209
3-[2,4-dimethyl-6-(propylamino)cyclohexyl]sulfanyl-4-ethyl-1H-1,2,4-triazol-5-one
CID 64737548
2,2-dimethyl-5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-propylcyclopentan-1-amine
CID 79862564
2-(furan-2-ylmethylsulfanyl)-3,5-dimethyl-N-propylcyclohexan-1-amine
CID 64735769
N-ethyl-3,5-dimethyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)cyclohexan-1-amine
CID 64735978
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-ethyl-3,5-dimethylcyclohexan-1-amine
CID 64734796
N-ethyl-3,5-dimethyl-2-(1,3-thiazol-2-ylsulfanyl)cyclohexan-1-amine
CID 64735197
2-tert-butylsulfinyl-3,5-dimethyl-N-propylcyclohexan-1-amine
CID 64734966
N-ethyl-3,5-dimethyl-2-pyrimidin-4-ylsulfanylcyclohexan-1-amine
CID 64737359
2-[(5-bromo-2-pyridinyl)sulfanyl]-N-ethyl-3,5-dimethylcyclohexan-1-amine
CID 64734811
2-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]cyclopropan-1-amine
CID 107914602
3-[2-(ethylamino)-4,6-dimethylcyclohexyl]sulfanyl-4-propyl-1H-1,2,4-triazol-5-one
CID 64737164

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-propylcyclohexan-1-amine?
The IUPAC name of 3,5-dimethyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-propylcyclohexan-1-amine (CID 64735982) is 3,5-dimethyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-propylcyclohexan-1-amine.
What is the SMILES notation for 3,5-dimethyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-propylcyclohexan-1-amine?
The canonical SMILES for 3,5-dimethyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-propylcyclohexan-1-amine is CCCNC1CC(C)CC(C)C1Sc1nnc(C)o1.
What is the InChIKey of 3,5-dimethyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-propylcyclohexan-1-amine?
The InChIKey is JMLWAEPXPYMYPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3OS/c1-5-6-15-12-8-9(2)7-10(3)13(12)19-14-17-16-11(4)18-14/h9-10,12-13,15H,5-8H2,1-4H3.
What are the key properties of 3,5-dimethyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-propylcyclohexan-1-amine?
3,5-dimethyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-propylcyclohexan-1-amine has a molecular weight of 283.44 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-propylcyclohexan-1-amine is sourced from PubChem (CID 64735982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).