N-(3,6-dihydro-2H-pyran-5-ylmethyl)cyclooctanamine

C14H25NO — CID 115741738

IUPACN-(3,6-dihydro-2H-pyran-5-ylmethyl)cyclooctanamine
SMILESC1=C(CNC2CCCCCCC2)COCC1
InChIInChI=1S/C14H25NO/c1-2-4-8-14(9-5-3-1)15-11-13-7-6-10-16-12-13/h7,14-15H,1-6,8-12H2
InChIKeyARAGNSTVOZUQON-UHFFFAOYSA-N
MW223.36 g/mol
LogP3.04
Rot. Bonds3

About N-(3,6-dihydro-2H-pyran-5-ylmethyl)cyclooctanamine

N-(3,6-dihydro-2H-pyran-5-ylmethyl)cyclooctanamine (PubChem CID 115741738) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is N-(3,6-dihydro-2H-pyran-5-ylmethyl)cyclooctanamine.

Molecular Properties

Compound NameN-(3,6-dihydro-2H-pyran-5-ylmethyl)cyclooctanamine
PubChem CID115741738
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC NameN-(3,6-dihydro-2H-pyran-5-ylmethyl)cyclooctanamine
SMILESC1=C(CNC2CCCCCCC2)COCC1
InChIInChI=1S/C14H25NO/c1-2-4-8-14(9-5-3-1)15-11-13-7-6-10-16-12-13/h7,14-15H,1-6,8-12H2
InChIKeyARAGNSTVOZUQON-UHFFFAOYSA-N
XLogP3.04
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(3,6-dihydro-2H-pyran-5-ylmethyl)cyclooctanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(cyclohexen-1-yl)-N-(3,6-dihydro-2H-pyran-5-ylmethyl)ethanamine
CID 115741718
N-(3,6-dihydro-2H-pyran-5-ylmethyl)octan-2-amine
CID 115741719
N-(3,6-dihydro-2H-pyran-5-ylmethyl)pentan-2-amine
CID 115741720
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-6-methylheptan-2-amine
CID 115741730
N-(3,6-dihydro-2H-pyran-5-ylmethyl)cyclopentanamine
CID 115741736
N-(3,6-dihydro-2H-pyran-5-ylmethyl)pentan-3-amine
CID 115741739
N-(3,6-dihydro-2H-pyran-5-ylmethyl)heptan-2-amine
CID 115741741
N-(3,6-dihydro-2H-pyran-5-ylmethyl)cycloheptanamine
CID 115741742
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-5-methylhexan-2-amine
CID 115741743
N-(3,6-dihydro-2H-pyran-5-ylmethyl)hexan-1-amine
CID 115741749
N-(3,6-dihydro-2H-pyran-5-ylmethyl)propan-2-amine
CID 115741753
N-(3,6-dihydro-2H-pyran-5-ylmethyl)butan-2-amine
CID 115741756

Frequently Asked Questions

What is the IUPAC name of N-(3,6-dihydro-2H-pyran-5-ylmethyl)cyclooctanamine?
The IUPAC name of N-(3,6-dihydro-2H-pyran-5-ylmethyl)cyclooctanamine (CID 115741738) is N-(3,6-dihydro-2H-pyran-5-ylmethyl)cyclooctanamine.
What is the SMILES notation for N-(3,6-dihydro-2H-pyran-5-ylmethyl)cyclooctanamine?
The canonical SMILES for N-(3,6-dihydro-2H-pyran-5-ylmethyl)cyclooctanamine is C1=C(CNC2CCCCCCC2)COCC1.
What is the InChIKey of N-(3,6-dihydro-2H-pyran-5-ylmethyl)cyclooctanamine?
The InChIKey is ARAGNSTVOZUQON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-2-4-8-14(9-5-3-1)15-11-13-7-6-10-16-12-13/h7,14-15H,1-6,8-12H2.
What are the key properties of N-(3,6-dihydro-2H-pyran-5-ylmethyl)cyclooctanamine?
N-(3,6-dihydro-2H-pyran-5-ylmethyl)cyclooctanamine has a molecular weight of 223.36 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,6-dihydro-2H-pyran-5-ylmethyl)cyclooctanamine is sourced from PubChem (CID 115741738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).