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

C18H35NO — CID 116759433

IUPAC1-(2-bicyclo[2.2.1]heptanyl)-3-ethoxy-3-methyl-N-propylpentan-2-amine
SMILESCCCNC(CC1CC2CCC1C2)C(C)(CC)OCC
InChIInChI=1S/C18H35NO/c1-5-10-19-17(18(4,6-2)20-7-3)13-16-12-14-8-9-15(16)11-14/h14-17,19H,5-13H2,1-4H3
InChIKeyARXGMVQPMGOOGB-UHFFFAOYSA-N
MW281.48 g/mol
LogP4.39
Rot. Bonds9

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

1-(2-bicyclo[2.2.1]heptanyl)-3-ethoxy-3-methyl-N-propylpentan-2-amine (PubChem CID 116759433) has the molecular formula C18H35NO and a molecular weight of 281.48 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanyl)-3-ethoxy-3-methyl-N-propylpentan-2-amine.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanyl)-3-ethoxy-3-methyl-N-propylpentan-2-amine
PubChem CID116759433
Molecular FormulaC18H35NO
Molecular Weight281.48 g/mol
Exact Mass281.27
IUPAC Name1-(2-bicyclo[2.2.1]heptanyl)-3-ethoxy-3-methyl-N-propylpentan-2-amine
SMILESCCCNC(CC1CC2CCC1C2)C(C)(CC)OCC
InChIInChI=1S/C18H35NO/c1-5-10-19-17(18(4,6-2)20-7-3)13-16-12-14-8-9-15(16)11-14/h14-17,19H,5-13H2,1-4H3
InChIKeyARXGMVQPMGOOGB-UHFFFAOYSA-N
XLogP4.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.48
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bicyclo[2.2.1]heptanyl)-3-ethoxy-3-methylpentan-2-amine
CID 116758629
1-(2-bicyclo[2.2.1]heptanyl)-3-ethoxy-3-methylbutan-2-amine
CID 116726349
1-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-N,4,4-trimethyl-3-N-propylpentane-1,3-diamine
CID 63682707
1-(2-bicyclo[2.2.1]heptanyl)-4-methyl-N-propylpent-3-en-2-amine
CID 105004806
1-(2-bicyclo[2.2.1]heptanyl)-3-cyclopentyl-N-propylpropan-2-amine
CID 115847377
[1-(2-bicyclo[2.2.1]heptanyl)-3-ethyl-3-methoxypentan-2-yl]hydrazine
CID 105275575
1-(2-bicyclo[2.2.1]heptanyl)-N-propylhex-5-en-2-amine
CID 104987608
N-[2-(2-bicyclo[2.2.1]heptanyl)-1-(4-methylphenyl)ethyl]propan-1-amine
CID 43495146
1-(3,4-dimethylcyclohexyl)-2-ethoxy-2-methyl-N-propylbutan-1-amine
CID 116759426
N-[2-(2-bicyclo[2.2.1]heptanyl)-1-(2,4,5-trimethylfuran-3-yl)ethyl]propan-1-amine
CID 105012922
N-[2-(2-bicyclo[2.2.1]heptanyl)-1-(4-ethylphenyl)ethyl]propan-1-amine
CID 43496619
[1-(2-bicyclo[2.2.1]heptanyl)-3-methyl-3-pyrrolidin-1-ylpentan-2-yl]hydrazine
CID 105241237

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-3-ethoxy-3-methyl-N-propylpentan-2-amine?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-3-ethoxy-3-methyl-N-propylpentan-2-amine (CID 116759433) is 1-(2-bicyclo[2.2.1]heptanyl)-3-ethoxy-3-methyl-N-propylpentan-2-amine.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanyl)-3-ethoxy-3-methyl-N-propylpentan-2-amine?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanyl)-3-ethoxy-3-methyl-N-propylpentan-2-amine is CCCNC(CC1CC2CCC1C2)C(C)(CC)OCC.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanyl)-3-ethoxy-3-methyl-N-propylpentan-2-amine?
The InChIKey is ARXGMVQPMGOOGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO/c1-5-10-19-17(18(4,6-2)20-7-3)13-16-12-14-8-9-15(16)11-14/h14-17,19H,5-13H2,1-4H3.
What are the key properties of 1-(2-bicyclo[2.2.1]heptanyl)-3-ethoxy-3-methyl-N-propylpentan-2-amine?
1-(2-bicyclo[2.2.1]heptanyl)-3-ethoxy-3-methyl-N-propylpentan-2-amine has a molecular weight of 281.48 g/mol, XLogP of 4.39, 9 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-3-methyl-N-propylpentan-2-amine is sourced from PubChem (CID 116759433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).