1-cyclooctyl-4-methoxy-N-methylbutan-1-amine

C14H29NO — CID 114856649

IUPAC1-cyclooctyl-4-methoxy-N-methylbutan-1-amine
SMILESCNC(CCCOC)C1CCCCCCC1
InChIInChI=1S/C14H29NO/c1-15-14(11-8-12-16-2)13-9-6-4-3-5-7-10-13/h13-15H,3-12H2,1-2H3
InChIKeyITOQSMONKMVAHF-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.36
Rot. Bonds6

About 1-cyclooctyl-4-methoxy-N-methylbutan-1-amine

1-cyclooctyl-4-methoxy-N-methylbutan-1-amine (PubChem CID 114856649) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 1-cyclooctyl-4-methoxy-N-methylbutan-1-amine.

Molecular Properties

Compound Name1-cyclooctyl-4-methoxy-N-methylbutan-1-amine
PubChem CID114856649
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name1-cyclooctyl-4-methoxy-N-methylbutan-1-amine
SMILESCNC(CCCOC)C1CCCCCCC1
InChIInChI=1S/C14H29NO/c1-15-14(11-8-12-16-2)13-9-6-4-3-5-7-10-13/h13-15H,3-12H2,1-2H3
InChIKeyITOQSMONKMVAHF-UHFFFAOYSA-N
XLogP3.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-cyclopropyl-4-[2-(2-methoxyethoxy)ethoxy]-N-methylbutan-1-amine
CID 104564643
1-cycloheptyl-3-(2-methoxyethoxy)-N-methylpropan-1-amine
CID 102928168
1-(7-bicyclo[4.1.0]heptanyl)-4-methoxy-N-methylbutan-1-amine
CID 105054829
1-cyclopentyl-N-ethyl-6-methoxyhexan-1-amine
CID 104648397
4-methoxy-N-methyl-1-(oxan-2-yl)butan-1-amine
CID 105055058
3-methoxy-N-methyl-1-(4-methylcyclohexyl)propan-1-amine
CID 62604714
4-cyclobutyl-4-(methylamino)butan-1-ol
CID 116953044
4-methoxy-N-methyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)butan-1-amine
CID 114855994
1-cyclohexyl-N-methyl-3-propoxypropan-1-amine
CID 105079512
2-amino-N-(1-cyclohexylpropyl)-5-methoxypentanamide
CID 81088329
(1-cyclohexyl-1-ethoxy-5-methoxypentan-2-yl)hydrazine
CID 105278914
1-cyclohexyl-N-methyloct-7-en-1-amine
CID 107008890

Frequently Asked Questions

What is the IUPAC name of 1-cyclooctyl-4-methoxy-N-methylbutan-1-amine?
The IUPAC name of 1-cyclooctyl-4-methoxy-N-methylbutan-1-amine (CID 114856649) is 1-cyclooctyl-4-methoxy-N-methylbutan-1-amine.
What is the SMILES notation for 1-cyclooctyl-4-methoxy-N-methylbutan-1-amine?
The canonical SMILES for 1-cyclooctyl-4-methoxy-N-methylbutan-1-amine is CNC(CCCOC)C1CCCCCCC1.
What is the InChIKey of 1-cyclooctyl-4-methoxy-N-methylbutan-1-amine?
The InChIKey is ITOQSMONKMVAHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-15-14(11-8-12-16-2)13-9-6-4-3-5-7-10-13/h13-15H,3-12H2,1-2H3.
What are the key properties of 1-cyclooctyl-4-methoxy-N-methylbutan-1-amine?
1-cyclooctyl-4-methoxy-N-methylbutan-1-amine has a molecular weight of 227.39 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclooctyl-4-methoxy-N-methylbutan-1-amine is sourced from PubChem (CID 114856649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).