N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]bicyclo[2.2.1]heptan-2-amine

C14H23NO — CID 115896032

IUPACN-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]bicyclo[2.2.1]heptan-2-amine
SMILESC1=C(CCNC2CC3CCC2C3)CCOC1
InChIInChI=1S/C14H23NO/c1-2-13-9-12(1)10-14(13)15-6-3-11-4-7-16-8-5-11/h4,12-15H,1-3,5-10H2
InChIKeyUBRBGSVSOUUWRO-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.50
Rot. Bonds4

About N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]bicyclo[2.2.1]heptan-2-amine

N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]bicyclo[2.2.1]heptan-2-amine (PubChem CID 115896032) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]bicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound NameN-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]bicyclo[2.2.1]heptan-2-amine
PubChem CID115896032
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC NameN-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]bicyclo[2.2.1]heptan-2-amine
SMILESC1=C(CCNC2CC3CCC2C3)CCOC1
InChIInChI=1S/C14H23NO/c1-2-13-9-12(1)10-14(13)15-6-3-11-4-7-16-8-5-11/h4,12-15H,1-3,5-10H2
InChIKeyUBRBGSVSOUUWRO-UHFFFAOYSA-N
XLogP2.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]bicyclo[2.2.1]heptan-2-amine?
The IUPAC name of N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]bicyclo[2.2.1]heptan-2-amine (CID 115896032) is N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]bicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]bicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]bicyclo[2.2.1]heptan-2-amine is C1=C(CCNC2CC3CCC2C3)CCOC1.
What is the InChIKey of N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]bicyclo[2.2.1]heptan-2-amine?
The InChIKey is UBRBGSVSOUUWRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-2-13-9-12(1)10-14(13)15-6-3-11-4-7-16-8-5-11/h4,12-15H,1-3,5-10H2.
What are the key properties of N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]bicyclo[2.2.1]heptan-2-amine?
N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]bicyclo[2.2.1]heptan-2-amine has a molecular weight of 221.34 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]bicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 115896032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).