(2-octan-2-yloxycycloheptyl)methanamine

C16H33NO — CID 43294113

IUPAC(2-octan-2-yloxycycloheptyl)methanamine
SMILESCCCCCCC(C)OC1CCCCCC1CN
InChIInChI=1S/C16H33NO/c1-3-4-5-7-10-14(2)18-16-12-9-6-8-11-15(16)13-17/h14-16H,3-13,17H2,1-2H3
InChIKeyUACADODYBZGTAC-UHFFFAOYSA-N
MW255.45 g/mol
LogP4.27
Rot. Bonds8

About (2-octan-2-yloxycycloheptyl)methanamine

(2-octan-2-yloxycycloheptyl)methanamine (PubChem CID 43294113) has the molecular formula C16H33NO and a molecular weight of 255.45 g/mol. Its IUPAC name is (2-octan-2-yloxycycloheptyl)methanamine.

Molecular Properties

Compound Name(2-octan-2-yloxycycloheptyl)methanamine
PubChem CID43294113
Molecular FormulaC16H33NO
Molecular Weight255.45 g/mol
Exact Mass255.26
IUPAC Name(2-octan-2-yloxycycloheptyl)methanamine
SMILESCCCCCCC(C)OC1CCCCCC1CN
InChIInChI=1S/C16H33NO/c1-3-4-5-7-10-14(2)18-16-12-9-6-8-11-15(16)13-17/h14-16H,3-13,17H2,1-2H3
InChIKeyUACADODYBZGTAC-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 (2-octan-2-yloxycycloheptyl)methanamine?
The IUPAC name of (2-octan-2-yloxycycloheptyl)methanamine (CID 43294113) is (2-octan-2-yloxycycloheptyl)methanamine.
What is the SMILES notation for (2-octan-2-yloxycycloheptyl)methanamine?
The canonical SMILES for (2-octan-2-yloxycycloheptyl)methanamine is CCCCCCC(C)OC1CCCCCC1CN.
What is the InChIKey of (2-octan-2-yloxycycloheptyl)methanamine?
The InChIKey is UACADODYBZGTAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO/c1-3-4-5-7-10-14(2)18-16-12-9-6-8-11-15(16)13-17/h14-16H,3-13,17H2,1-2H3.
What are the key properties of (2-octan-2-yloxycycloheptyl)methanamine?
(2-octan-2-yloxycycloheptyl)methanamine 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 (2-octan-2-yloxycycloheptyl)methanamine is sourced from PubChem (CID 43294113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).