4-ethyl-2-octan-2-yloxycyclohexan-1-amine

C16H33NO — CID 43127431

IUPAC4-ethyl-2-octan-2-yloxycyclohexan-1-amine
SMILESCCCCCCC(C)OC1CC(CC)CCC1N
InChIInChI=1S/C16H33NO/c1-4-6-7-8-9-13(3)18-16-12-14(5-2)10-11-15(16)17/h13-16H,4-12,17H2,1-3H3
InChIKeyIUAKRWICNJBAGD-UHFFFAOYSA-N
MW255.45 g/mol
LogP4.27
Rot. Bonds8

About 4-ethyl-2-octan-2-yloxycyclohexan-1-amine

4-ethyl-2-octan-2-yloxycyclohexan-1-amine (PubChem CID 43127431) has the molecular formula C16H33NO and a molecular weight of 255.45 g/mol. Its IUPAC name is 4-ethyl-2-octan-2-yloxycyclohexan-1-amine.

Molecular Properties

Compound Name4-ethyl-2-octan-2-yloxycyclohexan-1-amine
PubChem CID43127431
Molecular FormulaC16H33NO
Molecular Weight255.45 g/mol
Exact Mass255.26
IUPAC Name4-ethyl-2-octan-2-yloxycyclohexan-1-amine
SMILESCCCCCCC(C)OC1CC(CC)CCC1N
InChIInChI=1S/C16H33NO/c1-4-6-7-8-9-13(3)18-16-12-14(5-2)10-11-15(16)17/h13-16H,4-12,17H2,1-3H3
InChIKeyIUAKRWICNJBAGD-UHFFFAOYSA-N
XLogP4.27
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 54.27
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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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-octan-2-yloxycyclohexan-1-amine?
The IUPAC name of 4-ethyl-2-octan-2-yloxycyclohexan-1-amine (CID 43127431) is 4-ethyl-2-octan-2-yloxycyclohexan-1-amine.
What is the SMILES notation for 4-ethyl-2-octan-2-yloxycyclohexan-1-amine?
The canonical SMILES for 4-ethyl-2-octan-2-yloxycyclohexan-1-amine is CCCCCCC(C)OC1CC(CC)CCC1N.
What is the InChIKey of 4-ethyl-2-octan-2-yloxycyclohexan-1-amine?
The InChIKey is IUAKRWICNJBAGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO/c1-4-6-7-8-9-13(3)18-16-12-14(5-2)10-11-15(16)17/h13-16H,4-12,17H2,1-3H3.
What are the key properties of 4-ethyl-2-octan-2-yloxycyclohexan-1-amine?
4-ethyl-2-octan-2-yloxycyclohexan-1-amine has a molecular weight of 255.45 g/mol, XLogP of 4.27, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-octan-2-yloxycyclohexan-1-amine is sourced from PubChem (CID 43127431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).