1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-N-ethylpyrrolidin-3-amine

C15H28N2 — CID 43315021

IUPAC1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-N-ethylpyrrolidin-3-amine
SMILESCCNC1CCN(C(C)C2CC3CCC2C3)C1
InChIInChI=1S/C15H28N2/c1-3-16-14-6-7-17(10-14)11(2)15-9-12-4-5-13(15)8-12/h11-16H,3-10H2,1-2H3
InChIKeyNUBLHTWGKHESIZ-UHFFFAOYSA-N
MW236.40 g/mol
LogP2.49
Rot. Bonds4

About 1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-N-ethylpyrrolidin-3-amine

1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-N-ethylpyrrolidin-3-amine (PubChem CID 43315021) has the molecular formula C15H28N2 and a molecular weight of 236.40 g/mol. Its IUPAC name is 1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-N-ethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-N-ethylpyrrolidin-3-amine
PubChem CID43315021
Molecular FormulaC15H28N2
Molecular Weight236.40 g/mol
Exact Mass236.23
IUPAC Name1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-N-ethylpyrrolidin-3-amine
SMILESCCNC1CCN(C(C)C2CC3CCC2C3)C1
InChIInChI=1S/C15H28N2/c1-3-16-14-6-7-17(10-14)11(2)15-9-12-4-5-13(15)8-12/h11-16H,3-10H2,1-2H3
InChIKeyNUBLHTWGKHESIZ-UHFFFAOYSA-N
XLogP2.49
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-(3-ethylpentan-2-yl)pyrrolidin-3-amine
CID 63838673
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-propan-2-ylpiperidin-4-amine
CID 43178308
1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-methylpiperidin-4-one
CID 54975264
1-(1-cyclohexylethyl)-N-ethylpiperidin-4-amine
CID 62406841
N-ethyl-1-propan-2-ylpiperidin-4-amine
CID 24692919
1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-N,2-dimethylpiperidin-4-amine
CID 54975374
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-propan-2-ylazepan-4-amine
CID 65072788
(3R)-N-ethyl-1-[(1R)-1-phenylethyl]pyrrolidin-3-amine
CID 98177963
N-ethyl-1-hex-1-yn-3-ylpyrrolidin-3-amine
CID 106223599
1-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethanol
CID 134975675
(1R)-1-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethanol
CID 130127391
1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-ethyl-2-propan-2-ylpiperazine
CID 64930178

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-N-ethylpyrrolidin-3-amine?
The IUPAC name of 1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-N-ethylpyrrolidin-3-amine (CID 43315021) is 1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-N-ethylpyrrolidin-3-amine.
What is the SMILES notation for 1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-N-ethylpyrrolidin-3-amine?
The canonical SMILES for 1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-N-ethylpyrrolidin-3-amine is CCNC1CCN(C(C)C2CC3CCC2C3)C1.
What is the InChIKey of 1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-N-ethylpyrrolidin-3-amine?
The InChIKey is NUBLHTWGKHESIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2/c1-3-16-14-6-7-17(10-14)11(2)15-9-12-4-5-13(15)8-12/h11-16H,3-10H2,1-2H3.
What are the key properties of 1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-N-ethylpyrrolidin-3-amine?
1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-N-ethylpyrrolidin-3-amine has a molecular weight of 236.40 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-N-ethylpyrrolidin-3-amine is sourced from PubChem (CID 43315021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).