2-(2-bicyclo[2.2.1]heptanyl)-1-(oxan-3-yl)ethanamine

C14H25NO — CID 79562690

IUPAC2-(2-bicyclo[2.2.1]heptanyl)-1-(oxan-3-yl)ethanamine
SMILESNC(CC1CC2CCC1C2)C1CCCOC1
InChIInChI=1S/C14H25NO/c15-14(12-2-1-5-16-9-12)8-13-7-10-3-4-11(13)6-10/h10-14H,1-9,15H2
InChIKeyOJZBQAJIEDDUDE-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.57
Rot. Bonds3

About 2-(2-bicyclo[2.2.1]heptanyl)-1-(oxan-3-yl)ethanamine

2-(2-bicyclo[2.2.1]heptanyl)-1-(oxan-3-yl)ethanamine (PubChem CID 79562690) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanyl)-1-(oxan-3-yl)ethanamine.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanyl)-1-(oxan-3-yl)ethanamine
PubChem CID79562690
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name2-(2-bicyclo[2.2.1]heptanyl)-1-(oxan-3-yl)ethanamine
SMILESNC(CC1CC2CCC1C2)C1CCCOC1
InChIInChI=1S/C14H25NO/c15-14(12-2-1-5-16-9-12)8-13-7-10-3-4-11(13)6-10/h10-14H,1-9,15H2
InChIKeyOJZBQAJIEDDUDE-UHFFFAOYSA-N
XLogP2.57
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bicyclo[2.2.1]heptanyl)-1-cyclopentylethanamine
CID 79559439
2-(2-bicyclo[2.2.1]heptanyl)-1-cyclobutylethanamine
CID 79562076
N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]oxan-3-amine
CID 115714189
(1R)-1-[(3S)-oxan-3-yl]propan-1-amine
CID 96636720
3-methyl-1-(oxan-3-yl)butan-1-amine
CID 65331695
2-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]-2-(oxan-3-yl)acetic acid
CID 120547875
bis(oxan-3-yl)methanamine
CID 107136437
3-(2-bicyclo[2.2.1]heptanyl)-1,1-difluoropropan-2-amine
CID 103516898
2-(1,1-dioxothiolan-3-yl)-1-(oxan-3-yl)ethanamine
CID 107139034
1-(2-bicyclo[2.2.1]heptanyl)-2-methylpentan-3-amine
CID 79559608
2-(2-bicyclo[2.2.1]heptanyl)-1-(oxolan-2-yl)ethanol
CID 79558980
(1S)-1-[(3R)-oxan-3-yl]ethanamine
CID 96637700

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-1-(oxan-3-yl)ethanamine?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-1-(oxan-3-yl)ethanamine (CID 79562690) is 2-(2-bicyclo[2.2.1]heptanyl)-1-(oxan-3-yl)ethanamine.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanyl)-1-(oxan-3-yl)ethanamine?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanyl)-1-(oxan-3-yl)ethanamine is NC(CC1CC2CCC1C2)C1CCCOC1.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanyl)-1-(oxan-3-yl)ethanamine?
The InChIKey is OJZBQAJIEDDUDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c15-14(12-2-1-5-16-9-12)8-13-7-10-3-4-11(13)6-10/h10-14H,1-9,15H2.
What are the key properties of 2-(2-bicyclo[2.2.1]heptanyl)-1-(oxan-3-yl)ethanamine?
2-(2-bicyclo[2.2.1]heptanyl)-1-(oxan-3-yl)ethanamine has a molecular weight of 223.36 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]heptanyl)-1-(oxan-3-yl)ethanamine is sourced from PubChem (CID 79562690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).