1-cyclopropyl-2-methoxy-N-[(1-methylsulfanylcyclohexyl)methyl]ethanamine

C14H27NOS — CID 114116027

IUPAC1-cyclopropyl-2-methoxy-N-[(1-methylsulfanylcyclohexyl)methyl]ethanamine
SMILESCOCC(NCC1(SC)CCCCC1)C1CC1
InChIInChI=1S/C14H27NOS/c1-16-10-13(12-6-7-12)15-11-14(17-2)8-4-3-5-9-14/h12-13,15H,3-11H2,1-2H3
InChIKeyNINMXOUHJZTMAR-UHFFFAOYSA-N
MW257.44 g/mol
LogP3.07
Rot. Bonds7

About 1-cyclopropyl-2-methoxy-N-[(1-methylsulfanylcyclohexyl)methyl]ethanamine

1-cyclopropyl-2-methoxy-N-[(1-methylsulfanylcyclohexyl)methyl]ethanamine (PubChem CID 114116027) has the molecular formula C14H27NOS and a molecular weight of 257.44 g/mol. Its IUPAC name is 1-cyclopropyl-2-methoxy-N-[(1-methylsulfanylcyclohexyl)methyl]ethanamine.

Molecular Properties

Compound Name1-cyclopropyl-2-methoxy-N-[(1-methylsulfanylcyclohexyl)methyl]ethanamine
PubChem CID114116027
Molecular FormulaC14H27NOS
Molecular Weight257.44 g/mol
Exact Mass257.18
IUPAC Name1-cyclopropyl-2-methoxy-N-[(1-methylsulfanylcyclohexyl)methyl]ethanamine
SMILESCOCC(NCC1(SC)CCCCC1)C1CC1
InChIInChI=1S/C14H27NOS/c1-16-10-13(12-6-7-12)15-11-14(17-2)8-4-3-5-9-14/h12-13,15H,3-11H2,1-2H3
InChIKeyNINMXOUHJZTMAR-UHFFFAOYSA-N
XLogP3.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.44
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[[(1-cyclopropyl-2-methoxyethyl)amino]methyl]cyclopropyl]methanol
CID 81343057
1-cycloheptyl-N-ethyl-2-methoxyethanamine
CID 79574660
3-methoxy-3-methyl-N-[(1-methylsulfanylcyclohexyl)methyl]butan-2-amine
CID 114228293
N-(1-cyclopropyl-2-methoxyethyl)-2-ethylbutan-1-amine
CID 115718062
1-(4,4-difluorocyclohexyl)-N-ethyl-2-methoxyethanamine
CID 105165589
N-(1-cyclopropyl-2-methoxyethyl)-4-methylsulfanylbutan-1-amine
CID 115721624
N-(1-cyclopropyl-2-methoxyethyl)-2,3,3-trimethylbutan-1-amine
CID 81338401
N-(1-cyclopropyl-2-methoxyethyl)-5-methylsulfanylpentan-1-amine
CID 104926339
1-cyclohexyl-N-[(1-methylsulfanylcyclobutyl)methyl]methanamine
CID 107266985
N-[(1-methylsulfanylcyclobutyl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 114115737
N-ethyl-2-[(1-methylsulfanylcyclohexyl)methylamino]propanamide
CID 114116655
N-(1-cyclohexyl-2-methoxyethyl)propan-2-amine
CID 83686426

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-methoxy-N-[(1-methylsulfanylcyclohexyl)methyl]ethanamine?
The IUPAC name of 1-cyclopropyl-2-methoxy-N-[(1-methylsulfanylcyclohexyl)methyl]ethanamine (CID 114116027) is 1-cyclopropyl-2-methoxy-N-[(1-methylsulfanylcyclohexyl)methyl]ethanamine.
What is the SMILES notation for 1-cyclopropyl-2-methoxy-N-[(1-methylsulfanylcyclohexyl)methyl]ethanamine?
The canonical SMILES for 1-cyclopropyl-2-methoxy-N-[(1-methylsulfanylcyclohexyl)methyl]ethanamine is COCC(NCC1(SC)CCCCC1)C1CC1.
What is the InChIKey of 1-cyclopropyl-2-methoxy-N-[(1-methylsulfanylcyclohexyl)methyl]ethanamine?
The InChIKey is NINMXOUHJZTMAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NOS/c1-16-10-13(12-6-7-12)15-11-14(17-2)8-4-3-5-9-14/h12-13,15H,3-11H2,1-2H3.
What are the key properties of 1-cyclopropyl-2-methoxy-N-[(1-methylsulfanylcyclohexyl)methyl]ethanamine?
1-cyclopropyl-2-methoxy-N-[(1-methylsulfanylcyclohexyl)methyl]ethanamine has a molecular weight of 257.44 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-methoxy-N-[(1-methylsulfanylcyclohexyl)methyl]ethanamine is sourced from PubChem (CID 114116027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).