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

C13H23NO — CID 115741742

IUPACN-(3,6-dihydro-2H-pyran-5-ylmethyl)cycloheptanamine
SMILESC1=C(CNC2CCCCCC2)COCC1
InChIInChI=1S/C13H23NO/c1-2-4-8-13(7-3-1)14-10-12-6-5-9-15-11-12/h6,13-14H,1-5,7-11H2
InChIKeyYFOJPHWTQOQGAT-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.65
Rot. Bonds3

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

N-(3,6-dihydro-2H-pyran-5-ylmethyl)cycloheptanamine (PubChem CID 115741742) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is N-(3,6-dihydro-2H-pyran-5-ylmethyl)cycloheptanamine.

Molecular Properties

Compound NameN-(3,6-dihydro-2H-pyran-5-ylmethyl)cycloheptanamine
PubChem CID115741742
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC NameN-(3,6-dihydro-2H-pyran-5-ylmethyl)cycloheptanamine
SMILESC1=C(CNC2CCCCCC2)COCC1
InChIInChI=1S/C13H23NO/c1-2-4-8-13(7-3-1)14-10-12-6-5-9-15-11-12/h6,13-14H,1-5,7-11H2
InChIKeyYFOJPHWTQOQGAT-UHFFFAOYSA-N
XLogP2.65
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3,6-dihydro-2H-pyran-5-ylmethyl)-4-methylcyclohexan-1-amine
CID 103816300
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-methylcyclohexan-1-amine
CID 115674331
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)butan-1-amine
CID 115741734
N-(3,6-dihydro-2H-pyran-5-ylmethyl)cyclopentanamine
CID 115741736
N-(3,6-dihydro-2H-pyran-5-ylmethyl)cyclooctanamine
CID 115741738
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)-5-methylhexan-2-amine
CID 115741743

Frequently Asked Questions

What is the IUPAC name of N-(3,6-dihydro-2H-pyran-5-ylmethyl)cycloheptanamine?
The IUPAC name of N-(3,6-dihydro-2H-pyran-5-ylmethyl)cycloheptanamine (CID 115741742) is N-(3,6-dihydro-2H-pyran-5-ylmethyl)cycloheptanamine.
What is the SMILES notation for N-(3,6-dihydro-2H-pyran-5-ylmethyl)cycloheptanamine?
The canonical SMILES for N-(3,6-dihydro-2H-pyran-5-ylmethyl)cycloheptanamine is C1=C(CNC2CCCCCC2)COCC1.
What is the InChIKey of N-(3,6-dihydro-2H-pyran-5-ylmethyl)cycloheptanamine?
The InChIKey is YFOJPHWTQOQGAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-2-4-8-13(7-3-1)14-10-12-6-5-9-15-11-12/h6,13-14H,1-5,7-11H2.
What are the key properties of N-(3,6-dihydro-2H-pyran-5-ylmethyl)cycloheptanamine?
N-(3,6-dihydro-2H-pyran-5-ylmethyl)cycloheptanamine has a molecular weight of 209.33 g/mol, XLogP of 2.65, 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)cycloheptanamine is sourced from PubChem (CID 115741742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).