N-(2-adamantyl)-1-ethylpiperidin-4-amine

C17H30N2 — CID 782048

IUPACN-(2-adamantyl)-1-ethylpiperidin-4-amine
SMILESCCN1CCC(NC2C3CC4CC(C3)CC2C4)CC1
InChIInChI=1S/C17H30N2/c1-2-19-5-3-16(4-6-19)18-17-14-8-12-7-13(10-14)11-15(17)9-12/h12-18H,2-11H2,1H3
InChIKeyKAGHRADOFBDWMM-UHFFFAOYSA-N
MW262.44 g/mol
LogP2.88
Rot. Bonds3

About N-(2-adamantyl)-1-ethylpiperidin-4-amine

N-(2-adamantyl)-1-ethylpiperidin-4-amine (PubChem CID 782048) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is N-(2-adamantyl)-1-ethylpiperidin-4-amine.

Molecular Properties

Compound NameN-(2-adamantyl)-1-ethylpiperidin-4-amine
PubChem CID782048
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC NameN-(2-adamantyl)-1-ethylpiperidin-4-amine
SMILESCCN1CCC(NC2C3CC4CC(C3)CC2C4)CC1
InChIInChI=1S/C17H30N2/c1-2-19-5-3-16(4-6-19)18-17-14-8-12-7-13(10-14)11-15(17)9-12/h12-18H,2-11H2,1H3
InChIKeyKAGHRADOFBDWMM-UHFFFAOYSA-N
XLogP2.88
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
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-(2-adamantyl)-1-ethylpiperidin-4-amine?
The IUPAC name of N-(2-adamantyl)-1-ethylpiperidin-4-amine (CID 782048) is N-(2-adamantyl)-1-ethylpiperidin-4-amine.
What is the SMILES notation for N-(2-adamantyl)-1-ethylpiperidin-4-amine?
The canonical SMILES for N-(2-adamantyl)-1-ethylpiperidin-4-amine is CCN1CCC(NC2C3CC4CC(C3)CC2C4)CC1.
What is the InChIKey of N-(2-adamantyl)-1-ethylpiperidin-4-amine?
The InChIKey is KAGHRADOFBDWMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-2-19-5-3-16(4-6-19)18-17-14-8-12-7-13(10-14)11-15(17)9-12/h12-18H,2-11H2,1H3.
What are the key properties of N-(2-adamantyl)-1-ethylpiperidin-4-amine?
N-(2-adamantyl)-1-ethylpiperidin-4-amine has a molecular weight of 262.44 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantyl)-1-ethylpiperidin-4-amine is sourced from PubChem (CID 782048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).