N-(2-cyclohexyloxyethyl)-4-methylsulfanylbutan-1-amine

C13H27NOS — CID 103088042

IUPACN-(2-cyclohexyloxyethyl)-4-methylsulfanylbutan-1-amine
SMILESCSCCCCNCCOC1CCCCC1
InChIInChI=1S/C13H27NOS/c1-16-12-6-5-9-14-10-11-15-13-7-3-2-4-8-13/h13-14H,2-12H2,1H3
InChIKeyKKJHAVPKPLZMFW-UHFFFAOYSA-N
MW245.43 g/mol
LogP3.07
Rot. Bonds9

About N-(2-cyclohexyloxyethyl)-4-methylsulfanylbutan-1-amine

N-(2-cyclohexyloxyethyl)-4-methylsulfanylbutan-1-amine (PubChem CID 103088042) has the molecular formula C13H27NOS and a molecular weight of 245.43 g/mol. Its IUPAC name is N-(2-cyclohexyloxyethyl)-4-methylsulfanylbutan-1-amine.

Molecular Properties

Compound NameN-(2-cyclohexyloxyethyl)-4-methylsulfanylbutan-1-amine
PubChem CID103088042
Molecular FormulaC13H27NOS
Molecular Weight245.43 g/mol
Exact Mass245.18
IUPAC NameN-(2-cyclohexyloxyethyl)-4-methylsulfanylbutan-1-amine
SMILESCSCCCCNCCOC1CCCCC1
InChIInChI=1S/C13H27NOS/c1-16-12-6-5-9-14-10-11-15-13-7-3-2-4-8-13/h13-14H,2-12H2,1H3
InChIKeyKKJHAVPKPLZMFW-UHFFFAOYSA-N
XLogP3.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.43
LogP ≤ 53.07
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

N-(2-cycloheptyloxyethyl)pentan-1-amine
CID 62584222
N-(2-cyclopentyloxyethyl)hexan-1-amine
CID 62567442
N-(2-cyclohexyloxyethyl)-3-methoxypropan-1-amine
CID 62567637
N-(2-cyclopentyloxyethyl)-2-methoxyethanamine
CID 62564778
4-cyclohexyloxy-N-ethylbutan-1-amine
CID 62445750
5-cyclopentyloxy-N-ethylpentan-1-amine
CID 62444829
4-(2-cyclopentyloxyethylamino)butanenitrile
CID 63827839
5-cyclohexyloxy-N-(2-methylpropyl)pentan-1-amine
CID 62443659
2-(3-cyclopentyloxypropyl)-1-ethyl-3-(4-methylsulfanylbutyl)guanidine
CID 111628716
2-cyclopentyloxy-N-(2-propan-2-yloxyethyl)ethanamine
CID 63826960
N-(2-cyclohexyloxyethyl)pent-3-yn-1-amine
CID 104806928
tert-butyl 4-[2-(3-methylsulfanylpropylamino)ethoxy]piperidine-1-carboxylate
CID 107252389

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexyloxyethyl)-4-methylsulfanylbutan-1-amine?
The IUPAC name of N-(2-cyclohexyloxyethyl)-4-methylsulfanylbutan-1-amine (CID 103088042) is N-(2-cyclohexyloxyethyl)-4-methylsulfanylbutan-1-amine.
What is the SMILES notation for N-(2-cyclohexyloxyethyl)-4-methylsulfanylbutan-1-amine?
The canonical SMILES for N-(2-cyclohexyloxyethyl)-4-methylsulfanylbutan-1-amine is CSCCCCNCCOC1CCCCC1.
What is the InChIKey of N-(2-cyclohexyloxyethyl)-4-methylsulfanylbutan-1-amine?
The InChIKey is KKJHAVPKPLZMFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NOS/c1-16-12-6-5-9-14-10-11-15-13-7-3-2-4-8-13/h13-14H,2-12H2,1H3.
What are the key properties of N-(2-cyclohexyloxyethyl)-4-methylsulfanylbutan-1-amine?
N-(2-cyclohexyloxyethyl)-4-methylsulfanylbutan-1-amine has a molecular weight of 245.43 g/mol, XLogP of 3.07, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexyloxyethyl)-4-methylsulfanylbutan-1-amine is sourced from PubChem (CID 103088042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).