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

C15H28N2 — CID 43178307

IUPACN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-methylpiperidin-4-amine
SMILESCC(NC1CCN(C)CC1)C1CC2CCC1C2
InChIInChI=1S/C15H28N2/c1-11(15-10-12-3-4-13(15)9-12)16-14-5-7-17(2)8-6-14/h11-16H,3-10H2,1-2H3
InChIKeyNEJQHFFQONAEJC-UHFFFAOYSA-N
MW236.40 g/mol
LogP2.49
Rot. Bonds3

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

N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-methylpiperidin-4-amine (PubChem CID 43178307) has the molecular formula C15H28N2 and a molecular weight of 236.40 g/mol. Its IUPAC name is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-methylpiperidin-4-amine.

Molecular Properties

Compound NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-methylpiperidin-4-amine
PubChem CID43178307
Molecular FormulaC15H28N2
Molecular Weight236.40 g/mol
Exact Mass236.23
IUPAC NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-methylpiperidin-4-amine
SMILESCC(NC1CCN(C)CC1)C1CC2CCC1C2
InChIInChI=1S/C15H28N2/c1-11(15-10-12-3-4-13(15)9-12)16-14-5-7-17(2)8-6-14/h11-16H,3-10H2,1-2H3
InChIKeyNEJQHFFQONAEJC-UHFFFAOYSA-N
XLogP2.49
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-methylpiperidin-4-amine?
The IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-methylpiperidin-4-amine (CID 43178307) is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-methylpiperidin-4-amine.
What is the SMILES notation for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-methylpiperidin-4-amine?
The canonical SMILES for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-methylpiperidin-4-amine is CC(NC1CCN(C)CC1)C1CC2CCC1C2.
What is the InChIKey of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-methylpiperidin-4-amine?
The InChIKey is NEJQHFFQONAEJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2/c1-11(15-10-12-3-4-13(15)9-12)16-14-5-7-17(2)8-6-14/h11-16H,3-10H2,1-2H3.
What are the key properties of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-methylpiperidin-4-amine?
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-methylpiperidin-4-amine has a molecular weight of 236.40 g/mol, XLogP of 2.49, 3 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-methylpiperidin-4-amine is sourced from PubChem (CID 43178307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).