1-(2-bicyclo[2.2.1]heptanyl)-3-ethoxy-N-ethylpentan-2-amine

C16H31NO — CID 116717001

IUPAC1-(2-bicyclo[2.2.1]heptanyl)-3-ethoxy-N-ethylpentan-2-amine
SMILESCCNC(CC1CC2CCC1C2)C(CC)OCC
InChIInChI=1S/C16H31NO/c1-4-16(18-6-3)15(17-5-2)11-14-10-12-7-8-13(14)9-12/h12-17H,4-11H2,1-3H3
InChIKeyHLDWJVTXEUKGBE-UHFFFAOYSA-N
MW253.43 g/mol
LogP3.61
Rot. Bonds8

About 1-(2-bicyclo[2.2.1]heptanyl)-3-ethoxy-N-ethylpentan-2-amine

1-(2-bicyclo[2.2.1]heptanyl)-3-ethoxy-N-ethylpentan-2-amine (PubChem CID 116717001) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanyl)-3-ethoxy-N-ethylpentan-2-amine.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanyl)-3-ethoxy-N-ethylpentan-2-amine
PubChem CID116717001
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC Name1-(2-bicyclo[2.2.1]heptanyl)-3-ethoxy-N-ethylpentan-2-amine
SMILESCCNC(CC1CC2CCC1C2)C(CC)OCC
InChIInChI=1S/C16H31NO/c1-4-16(18-6-3)15(17-5-2)11-14-10-12-7-8-13(14)9-12/h12-17H,4-11H2,1-3H3
InChIKeyHLDWJVTXEUKGBE-UHFFFAOYSA-N
XLogP3.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(2-bicyclo[2.2.1]heptanyl)-3-ethoxypentan-2-yl]hydrazine
CID 105271229
1-cyclohexyl-3-ethoxy-N-ethylpentan-2-amine
CID 116717017
1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-3-methoxypropan-2-amine
CID 79563313
2-(2-bicyclo[2.2.1]heptanyl)-1-(3,5-dimethylcyclohexyl)-N-ethylethanamine
CID 104988995
2-(2-bicyclo[2.2.1]heptanyl)-1-(3-bicyclo[3.1.0]hexanyl)-N-ethylethanamine
CID 105012693
3-(2-bicyclo[2.2.1]heptanyl)-1-ethoxy-N-methyl-1-phenylpropan-2-amine
CID 116773664
2-(2-bicyclo[2.2.1]heptanyl)-1-cyclooctyl-N-ethylethanamine
CID 80603053
[3-(2-bicyclo[2.2.1]heptanyl)-1-ethoxy-1-phenylpropan-2-yl]hydrazine
CID 105279376
1-(2-bicyclo[2.2.1]heptanyl)-3-ethoxy-4,4-dimethylpentan-2-ol
CID 116713452
1-(2-bicyclo[2.2.1]heptanyl)-N-ethylpent-4-yn-2-amine
CID 114977789
2-(2-bicyclo[2.2.1]heptanyl)-1-(4-ethoxyoxan-4-yl)-N-ethylethanamine
CID 116765919
2-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-1-(4-iodophenyl)ethanamine
CID 105012701

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-3-ethoxy-N-ethylpentan-2-amine?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-3-ethoxy-N-ethylpentan-2-amine (CID 116717001) is 1-(2-bicyclo[2.2.1]heptanyl)-3-ethoxy-N-ethylpentan-2-amine.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanyl)-3-ethoxy-N-ethylpentan-2-amine?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanyl)-3-ethoxy-N-ethylpentan-2-amine is CCNC(CC1CC2CCC1C2)C(CC)OCC.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanyl)-3-ethoxy-N-ethylpentan-2-amine?
The InChIKey is HLDWJVTXEUKGBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-4-16(18-6-3)15(17-5-2)11-14-10-12-7-8-13(14)9-12/h12-17H,4-11H2,1-3H3.
What are the key properties of 1-(2-bicyclo[2.2.1]heptanyl)-3-ethoxy-N-ethylpentan-2-amine?
1-(2-bicyclo[2.2.1]heptanyl)-3-ethoxy-N-ethylpentan-2-amine has a molecular weight of 253.43 g/mol, XLogP of 3.61, 8 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)-3-ethoxy-N-ethylpentan-2-amine is sourced from PubChem (CID 116717001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).