1-(2-bicyclo[2.2.1]heptanyl)-N-(oxan-2-ylmethyl)ethanamine

C15H27NO — CID 43403119

IUPAC1-(2-bicyclo[2.2.1]heptanyl)-N-(oxan-2-ylmethyl)ethanamine
SMILESCC(NCC1CCCCO1)C1CC2CCC1C2
InChIInChI=1S/C15H27NO/c1-11(15-9-12-5-6-13(15)8-12)16-10-14-4-2-3-7-17-14/h11-16H,2-10H2,1H3
InChIKeyYNOYBFOROPCJBY-UHFFFAOYSA-N
MW237.39 g/mol
LogP2.97
Rot. Bonds4

About 1-(2-bicyclo[2.2.1]heptanyl)-N-(oxan-2-ylmethyl)ethanamine

1-(2-bicyclo[2.2.1]heptanyl)-N-(oxan-2-ylmethyl)ethanamine (PubChem CID 43403119) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanyl)-N-(oxan-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanyl)-N-(oxan-2-ylmethyl)ethanamine
PubChem CID43403119
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name1-(2-bicyclo[2.2.1]heptanyl)-N-(oxan-2-ylmethyl)ethanamine
SMILESCC(NCC1CCCCO1)C1CC2CCC1C2
InChIInChI=1S/C15H27NO/c1-11(15-9-12-5-6-13(15)8-12)16-10-14-4-2-3-7-17-14/h11-16H,2-10H2,1H3
InChIKeyYNOYBFOROPCJBY-UHFFFAOYSA-N
XLogP2.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-N-(oxan-2-ylmethyl)ethanamine?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-N-(oxan-2-ylmethyl)ethanamine (CID 43403119) is 1-(2-bicyclo[2.2.1]heptanyl)-N-(oxan-2-ylmethyl)ethanamine.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanyl)-N-(oxan-2-ylmethyl)ethanamine?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanyl)-N-(oxan-2-ylmethyl)ethanamine is CC(NCC1CCCCO1)C1CC2CCC1C2.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanyl)-N-(oxan-2-ylmethyl)ethanamine?
The InChIKey is YNOYBFOROPCJBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO/c1-11(15-9-12-5-6-13(15)8-12)16-10-14-4-2-3-7-17-14/h11-16H,2-10H2,1H3.
What are the key properties of 1-(2-bicyclo[2.2.1]heptanyl)-N-(oxan-2-ylmethyl)ethanamine?
1-(2-bicyclo[2.2.1]heptanyl)-N-(oxan-2-ylmethyl)ethanamine has a molecular weight of 237.39 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]heptanyl)-N-(oxan-2-ylmethyl)ethanamine is sourced from PubChem (CID 43403119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).