N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-ethylpiperidin-4-amine

C16H30N2 — CID 43178309

IUPACN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-ethylpiperidin-4-amine
SMILESCCN1CCC(NC(C)C2CC3CCC2C3)CC1
InChIInChI=1S/C16H30N2/c1-3-18-8-6-15(7-9-18)17-12(2)16-11-13-4-5-14(16)10-13/h12-17H,3-11H2,1-2H3
InChIKeyGVSXVMNJLGORSZ-UHFFFAOYSA-N
MW250.43 g/mol
LogP2.88
Rot. Bonds4

About N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-ethylpiperidin-4-amine

N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-ethylpiperidin-4-amine (PubChem CID 43178309) has the molecular formula C16H30N2 and a molecular weight of 250.43 g/mol. Its IUPAC name is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-ethylpiperidin-4-amine.

Molecular Properties

Compound NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-ethylpiperidin-4-amine
PubChem CID43178309
Molecular FormulaC16H30N2
Molecular Weight250.43 g/mol
Exact Mass250.24
IUPAC NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-ethylpiperidin-4-amine
SMILESCCN1CCC(NC(C)C2CC3CCC2C3)CC1
InChIInChI=1S/C16H30N2/c1-3-18-8-6-15(7-9-18)17-12(2)16-11-13-4-5-14(16)10-13/h12-17H,3-11H2,1-2H3
InChIKeyGVSXVMNJLGORSZ-UHFFFAOYSA-N
XLogP2.88
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-ethylpiperidin-4-amine?
The IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-ethylpiperidin-4-amine (CID 43178309) is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-ethylpiperidin-4-amine.
What is the SMILES notation for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-ethylpiperidin-4-amine?
The canonical SMILES for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-ethylpiperidin-4-amine is CCN1CCC(NC(C)C2CC3CCC2C3)CC1.
What is the InChIKey of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-ethylpiperidin-4-amine?
The InChIKey is GVSXVMNJLGORSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2/c1-3-18-8-6-15(7-9-18)17-12(2)16-11-13-4-5-14(16)10-13/h12-17H,3-11H2,1-2H3.
What are the key properties of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-ethylpiperidin-4-amine?
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-ethylpiperidin-4-amine has a molecular weight of 250.43 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-ethylpiperidin-4-amine is sourced from PubChem (CID 43178309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).