2-(2-methoxyethylsulfanyl)-4-(2-methylbutan-2-yl)-N-propylcyclohexan-1-amine

C17H35NOS — CID 64613470

IUPAC2-(2-methoxyethylsulfanyl)-4-(2-methylbutan-2-yl)-N-propylcyclohexan-1-amine
SMILESCCCNC1CCC(C(C)(C)CC)CC1SCCOC
InChIInChI=1S/C17H35NOS/c1-6-10-18-15-9-8-14(17(3,4)7-2)13-16(15)20-12-11-19-5/h14-16,18H,6-13H2,1-5H3
InChIKeyRVKZUNVWUYTQGL-UHFFFAOYSA-N
MW301.54 g/mol
LogP4.34
Rot. Bonds9

About 2-(2-methoxyethylsulfanyl)-4-(2-methylbutan-2-yl)-N-propylcyclohexan-1-amine

2-(2-methoxyethylsulfanyl)-4-(2-methylbutan-2-yl)-N-propylcyclohexan-1-amine (PubChem CID 64613470) has the molecular formula C17H35NOS and a molecular weight of 301.54 g/mol. Its IUPAC name is 2-(2-methoxyethylsulfanyl)-4-(2-methylbutan-2-yl)-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(2-methoxyethylsulfanyl)-4-(2-methylbutan-2-yl)-N-propylcyclohexan-1-amine
PubChem CID64613470
Molecular FormulaC17H35NOS
Molecular Weight301.54 g/mol
Exact Mass301.24
IUPAC Name2-(2-methoxyethylsulfanyl)-4-(2-methylbutan-2-yl)-N-propylcyclohexan-1-amine
SMILESCCCNC1CCC(C(C)(C)CC)CC1SCCOC
InChIInChI=1S/C17H35NOS/c1-6-10-18-15-9-8-14(17(3,4)7-2)13-16(15)20-12-11-19-5/h14-16,18H,6-13H2,1-5H3
InChIKeyRVKZUNVWUYTQGL-UHFFFAOYSA-N
XLogP4.34
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.54
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(2-methylbutan-2-yl)-2-methylsulfanyl-N-propylcyclohexan-1-amine
CID 64625882
2-(2-methoxyethylsulfanyl)-4,4-dimethyl-N-propylcyclohexan-1-amine
CID 64609722
4-tert-butyl-2-(2-methylpropylsulfanyl)-N-propylcyclohexan-1-amine
CID 64611522
3-[2-(methylamino)-5-(2-methylbutan-2-yl)cyclohexyl]sulfanylpropan-1-ol
CID 66126855
2-(3-methoxypropylsulfanyl)-4-(2-methylbutan-2-yl)cyclohexane-1-carbonitrile
CID 55259199
ethyl 2-[5-tert-butyl-2-(propylamino)cyclohexyl]sulfanylacetate
CID 64615662
2-[5-methyl-2-(propylamino)cyclohexyl]sulfanylethanol
CID 64615464
2-N-methyl-4-(2-methylbutan-2-yl)-1-N,2-N-dipropylcyclohexane-1,2-diamine
CID 63467170
4-tert-butyl-2-(oxolan-2-ylmethylsulfanyl)-N-propylcyclohexan-1-amine
CID 106496874
N-methyl-4-(2-methylbutan-2-yl)-2-(2-methylbutylsulfanyl)cyclohexan-1-amine
CID 107763602
4-tert-butyl-2-phenylsulfanyl-N-propylcyclohexan-1-amine
CID 64621738
methyl 3-[2-(propylamino)cycloheptyl]sulfanylpropanoate
CID 64615405

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethylsulfanyl)-4-(2-methylbutan-2-yl)-N-propylcyclohexan-1-amine?
The IUPAC name of 2-(2-methoxyethylsulfanyl)-4-(2-methylbutan-2-yl)-N-propylcyclohexan-1-amine (CID 64613470) is 2-(2-methoxyethylsulfanyl)-4-(2-methylbutan-2-yl)-N-propylcyclohexan-1-amine.
What is the SMILES notation for 2-(2-methoxyethylsulfanyl)-4-(2-methylbutan-2-yl)-N-propylcyclohexan-1-amine?
The canonical SMILES for 2-(2-methoxyethylsulfanyl)-4-(2-methylbutan-2-yl)-N-propylcyclohexan-1-amine is CCCNC1CCC(C(C)(C)CC)CC1SCCOC.
What is the InChIKey of 2-(2-methoxyethylsulfanyl)-4-(2-methylbutan-2-yl)-N-propylcyclohexan-1-amine?
The InChIKey is RVKZUNVWUYTQGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NOS/c1-6-10-18-15-9-8-14(17(3,4)7-2)13-16(15)20-12-11-19-5/h14-16,18H,6-13H2,1-5H3.
What are the key properties of 2-(2-methoxyethylsulfanyl)-4-(2-methylbutan-2-yl)-N-propylcyclohexan-1-amine?
2-(2-methoxyethylsulfanyl)-4-(2-methylbutan-2-yl)-N-propylcyclohexan-1-amine has a molecular weight of 301.54 g/mol, XLogP of 4.34, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethylsulfanyl)-4-(2-methylbutan-2-yl)-N-propylcyclohexan-1-amine is sourced from PubChem (CID 64613470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).