1-cyclohexyl-N-methyl-2-octoxyethanamine

C17H35NO — CID 104748974

IUPAC1-cyclohexyl-N-methyl-2-octoxyethanamine
SMILESCCCCCCCCOCC(NC)C1CCCCC1
InChIInChI=1S/C17H35NO/c1-3-4-5-6-7-11-14-19-15-17(18-2)16-12-9-8-10-13-16/h16-18H,3-15H2,1-2H3
InChIKeyMJUXIWUBLGWCII-UHFFFAOYSA-N
MW269.47 g/mol
LogP4.53
Rot. Bonds11

About 1-cyclohexyl-N-methyl-2-octoxyethanamine

1-cyclohexyl-N-methyl-2-octoxyethanamine (PubChem CID 104748974) has the molecular formula C17H35NO and a molecular weight of 269.47 g/mol. Its IUPAC name is 1-cyclohexyl-N-methyl-2-octoxyethanamine.

Molecular Properties

Compound Name1-cyclohexyl-N-methyl-2-octoxyethanamine
PubChem CID104748974
Molecular FormulaC17H35NO
Molecular Weight269.47 g/mol
Exact Mass269.27
IUPAC Name1-cyclohexyl-N-methyl-2-octoxyethanamine
SMILESCCCCCCCCOCC(NC)C1CCCCC1
InChIInChI=1S/C17H35NO/c1-3-4-5-6-7-11-14-19-15-17(18-2)16-12-9-8-10-13-16/h16-18H,3-15H2,1-2H3
InChIKeyMJUXIWUBLGWCII-UHFFFAOYSA-N
XLogP4.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.47
LogP ≤ 54.53
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-N-methyl-2-pentoxyethanamine
CID 63908778
2-butoxy-1-cyclopentyl-N-ethylethanamine
CID 104749090
1-cyclopropyl-N-methyl-2-(2-propoxyethoxy)ethanamine
CID 63907333
1-cyclohexyl-2-(3,3-dimethylbutoxy)-N-methylethanamine
CID 104749574
1-cyclohexyl-2-(cyclopropylmethoxy)-N-methylethanamine
CID 104748827
2-cycloheptyloxy-1-cyclohexyl-N-methylethanamine
CID 104749178
1-cyclohexyl-N-methyl-3-propoxypropan-1-amine
CID 105079512
1-(cyclooctylamino)-3-hexoxypropan-2-ol
CID 60635229
1-cyclopropyl-N-methyl-2-[2-(2-methylpropoxy)ethoxy]ethanamine
CID 106447297
1-[[(1R)-1-cyclopentylethyl]amino]-3-hexoxypropan-2-ol
CID 81395639
1-cyclooctyl-N-ethylheptan-1-amine
CID 80603132
N-(3-octoxypropyl)cyclohexanamine
CID 63506430

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-methyl-2-octoxyethanamine?
The IUPAC name of 1-cyclohexyl-N-methyl-2-octoxyethanamine (CID 104748974) is 1-cyclohexyl-N-methyl-2-octoxyethanamine.
What is the SMILES notation for 1-cyclohexyl-N-methyl-2-octoxyethanamine?
The canonical SMILES for 1-cyclohexyl-N-methyl-2-octoxyethanamine is CCCCCCCCOCC(NC)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-N-methyl-2-octoxyethanamine?
The InChIKey is MJUXIWUBLGWCII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO/c1-3-4-5-6-7-11-14-19-15-17(18-2)16-12-9-8-10-13-16/h16-18H,3-15H2,1-2H3.
What are the key properties of 1-cyclohexyl-N-methyl-2-octoxyethanamine?
1-cyclohexyl-N-methyl-2-octoxyethanamine has a molecular weight of 269.47 g/mol, XLogP of 4.53, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-methyl-2-octoxyethanamine is sourced from PubChem (CID 104748974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).