4-methoxy-N-(4-methylsulfanylbutyl)cyclohexan-1-amine

C12H25NOS — CID 104530252

IUPAC4-methoxy-N-(4-methylsulfanylbutyl)cyclohexan-1-amine
SMILESCOC1CCC(NCCCCSC)CC1
InChIInChI=1S/C12H25NOS/c1-14-12-7-5-11(6-8-12)13-9-3-4-10-15-2/h11-13H,3-10H2,1-2H3
InChIKeyDWIBZFQDDXYKNU-UHFFFAOYSA-N
MW231.40 g/mol
LogP2.68
Rot. Bonds7

About 4-methoxy-N-(4-methylsulfanylbutyl)cyclohexan-1-amine

4-methoxy-N-(4-methylsulfanylbutyl)cyclohexan-1-amine (PubChem CID 104530252) has the molecular formula C12H25NOS and a molecular weight of 231.40 g/mol. Its IUPAC name is 4-methoxy-N-(4-methylsulfanylbutyl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-methoxy-N-(4-methylsulfanylbutyl)cyclohexan-1-amine
PubChem CID104530252
Molecular FormulaC12H25NOS
Molecular Weight231.40 g/mol
Exact Mass231.17
IUPAC Name4-methoxy-N-(4-methylsulfanylbutyl)cyclohexan-1-amine
SMILESCOC1CCC(NCCCCSC)CC1
InChIInChI=1S/C12H25NOS/c1-14-12-7-5-11(6-8-12)13-9-3-4-10-15-2/h11-13H,3-10H2,1-2H3
InChIKeyDWIBZFQDDXYKNU-UHFFFAOYSA-N
XLogP2.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.40
LogP ≤ 52.68
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-(3-methylsulfanylpropyl)cyclopropanamine
CID 28607191
N-(6-methylsulfanylhexyl)-4-propan-2-ylcyclohexan-1-amine
CID 114125031
3-ethoxy-N-(5-methylsulfanylpentyl)cyclobutan-1-amine
CID 104926478
4-(3-methylsulfanylpropylamino)cyclohexan-1-ol
CID 28615263
N-(3-methylsulfanylpropyl)cyclohexanamine
CID 28609981
N,N'-dicyclopropyloctane-1,8-diamine
CID 66337537
N-[4-(4-methoxypiperidin-1-yl)butyl]cyclopropanamine
CID 62422445
1-methyl-N-(5-methylsulfanylpentyl)azepan-4-amine
CID 104926411
N-cyclopropyl-N'-methyl-N'-(2-methylsulfanylethyl)butane-1,4-diamine
CID 112665474
N-(5-methylsulfanylpentyl)oxan-3-amine
CID 104926386
1-[4-(4-methylsulfanylbutylamino)piperidin-1-yl]ethanone
CID 115639158
N-(4-methylsulfanylbutyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 103087754

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(4-methylsulfanylbutyl)cyclohexan-1-amine?
The IUPAC name of 4-methoxy-N-(4-methylsulfanylbutyl)cyclohexan-1-amine (CID 104530252) is 4-methoxy-N-(4-methylsulfanylbutyl)cyclohexan-1-amine.
What is the SMILES notation for 4-methoxy-N-(4-methylsulfanylbutyl)cyclohexan-1-amine?
The canonical SMILES for 4-methoxy-N-(4-methylsulfanylbutyl)cyclohexan-1-amine is COC1CCC(NCCCCSC)CC1.
What is the InChIKey of 4-methoxy-N-(4-methylsulfanylbutyl)cyclohexan-1-amine?
The InChIKey is DWIBZFQDDXYKNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NOS/c1-14-12-7-5-11(6-8-12)13-9-3-4-10-15-2/h11-13H,3-10H2,1-2H3.
What are the key properties of 4-methoxy-N-(4-methylsulfanylbutyl)cyclohexan-1-amine?
4-methoxy-N-(4-methylsulfanylbutyl)cyclohexan-1-amine has a molecular weight of 231.40 g/mol, XLogP of 2.68, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(4-methylsulfanylbutyl)cyclohexan-1-amine is sourced from PubChem (CID 104530252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).