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

C14H25NO — CID 43179786

IUPAC1-(2-bicyclo[2.2.1]heptanyl)-N-(oxolan-2-ylmethyl)ethanamine
SMILESCC(NCC1CCCO1)C1CC2CCC1C2
InChIInChI=1S/C14H25NO/c1-10(15-9-13-3-2-6-16-13)14-8-11-4-5-12(14)7-11/h10-15H,2-9H2,1H3
InChIKeyDFYZJZILINZKTE-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.58
Rot. Bonds4

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

1-(2-bicyclo[2.2.1]heptanyl)-N-(oxolan-2-ylmethyl)ethanamine (PubChem CID 43179786) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanyl)-N-(oxolan-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanyl)-N-(oxolan-2-ylmethyl)ethanamine
PubChem CID43179786
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name1-(2-bicyclo[2.2.1]heptanyl)-N-(oxolan-2-ylmethyl)ethanamine
SMILESCC(NCC1CCCO1)C1CC2CCC1C2
InChIInChI=1S/C14H25NO/c1-10(15-9-13-3-2-6-16-13)14-8-11-4-5-12(14)7-11/h10-15H,2-9H2,1H3
InChIKeyDFYZJZILINZKTE-UHFFFAOYSA-N
XLogP2.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.58
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-(oxolan-2-ylmethyl)ethanamine?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-N-(oxolan-2-ylmethyl)ethanamine (CID 43179786) is 1-(2-bicyclo[2.2.1]heptanyl)-N-(oxolan-2-ylmethyl)ethanamine.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanyl)-N-(oxolan-2-ylmethyl)ethanamine?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanyl)-N-(oxolan-2-ylmethyl)ethanamine is CC(NCC1CCCO1)C1CC2CCC1C2.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanyl)-N-(oxolan-2-ylmethyl)ethanamine?
The InChIKey is DFYZJZILINZKTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-10(15-9-13-3-2-6-16-13)14-8-11-4-5-12(14)7-11/h10-15H,2-9H2,1H3.
What are the key properties of 1-(2-bicyclo[2.2.1]heptanyl)-N-(oxolan-2-ylmethyl)ethanamine?
1-(2-bicyclo[2.2.1]heptanyl)-N-(oxolan-2-ylmethyl)ethanamine has a molecular weight of 223.36 g/mol, XLogP of 2.58, 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-(oxolan-2-ylmethyl)ethanamine is sourced from PubChem (CID 43179786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).