N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-2-methyl-2-morpholin-4-ylpropan-1-amine

C17H30N2O — CID 43766789

IUPACN-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-2-methyl-2-morpholin-4-ylpropan-1-amine
SMILESCC(NCC(C)(C)N1CCOCC1)C1CC2C=CC1C2
InChIInChI=1S/C17H30N2O/c1-13(16-11-14-4-5-15(16)10-14)18-12-17(2,3)19-6-8-20-9-7-19/h4-5,13-16,18H,6-12H2,1-3H3
InChIKeyNVIOOJWUOCQNKD-UHFFFAOYSA-N
MW278.44 g/mol
LogP2.29
Rot. Bonds5

About N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-2-methyl-2-morpholin-4-ylpropan-1-amine

N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-2-methyl-2-morpholin-4-ylpropan-1-amine (PubChem CID 43766789) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-2-methyl-2-morpholin-4-ylpropan-1-amine.

Molecular Properties

Compound NameN-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-2-methyl-2-morpholin-4-ylpropan-1-amine
PubChem CID43766789
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC NameN-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-2-methyl-2-morpholin-4-ylpropan-1-amine
SMILESCC(NCC(C)(C)N1CCOCC1)C1CC2C=CC1C2
InChIInChI=1S/C17H30N2O/c1-13(16-11-14-4-5-15(16)10-14)18-12-17(2,3)19-6-8-20-9-7-19/h4-5,13-16,18H,6-12H2,1-3H3
InChIKeyNVIOOJWUOCQNKD-UHFFFAOYSA-N
XLogP2.29
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-2-methyl-2-morpholin-4-ylpropan-1-amine?
The IUPAC name of N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-2-methyl-2-morpholin-4-ylpropan-1-amine (CID 43766789) is N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-2-methyl-2-morpholin-4-ylpropan-1-amine.
What is the SMILES notation for N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-2-methyl-2-morpholin-4-ylpropan-1-amine?
The canonical SMILES for N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-2-methyl-2-morpholin-4-ylpropan-1-amine is CC(NCC(C)(C)N1CCOCC1)C1CC2C=CC1C2.
What is the InChIKey of N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-2-methyl-2-morpholin-4-ylpropan-1-amine?
The InChIKey is NVIOOJWUOCQNKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-13(16-11-14-4-5-15(16)10-14)18-12-17(2,3)19-6-8-20-9-7-19/h4-5,13-16,18H,6-12H2,1-3H3.
What are the key properties of N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-2-methyl-2-morpholin-4-ylpropan-1-amine?
N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-2-methyl-2-morpholin-4-ylpropan-1-amine has a molecular weight of 278.44 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-2-methyl-2-morpholin-4-ylpropan-1-amine is sourced from PubChem (CID 43766789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).