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

C16H28N2 — CID 782009

IUPACN-(2-adamantyl)-1-methylpiperidin-4-amine
SMILESCN1CCC(NC2C3CC4CC(C3)CC2C4)CC1
InChIInChI=1S/C16H28N2/c1-18-4-2-15(3-5-18)17-16-13-7-11-6-12(9-13)10-14(16)8-11/h11-17H,2-10H2,1H3
InChIKeyBEJASFNINWPLHH-UHFFFAOYSA-N
MW248.41 g/mol
LogP2.49
Rot. Bonds2

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

N-(2-adamantyl)-1-methylpiperidin-4-amine (PubChem CID 782009) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is N-(2-adamantyl)-1-methylpiperidin-4-amine.

Molecular Properties

Compound NameN-(2-adamantyl)-1-methylpiperidin-4-amine
PubChem CID782009
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC NameN-(2-adamantyl)-1-methylpiperidin-4-amine
SMILESCN1CCC(NC2C3CC4CC(C3)CC2C4)CC1
InChIInChI=1S/C16H28N2/c1-18-4-2-15(3-5-18)17-16-13-7-11-6-12(9-13)10-14(16)8-11/h11-17H,2-10H2,1H3
InChIKeyBEJASFNINWPLHH-UHFFFAOYSA-N
XLogP2.49
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
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-(2-adamantyl)-1-methylpiperidin-4-amine?
The IUPAC name of N-(2-adamantyl)-1-methylpiperidin-4-amine (CID 782009) is N-(2-adamantyl)-1-methylpiperidin-4-amine.
What is the SMILES notation for N-(2-adamantyl)-1-methylpiperidin-4-amine?
The canonical SMILES for N-(2-adamantyl)-1-methylpiperidin-4-amine is CN1CCC(NC2C3CC4CC(C3)CC2C4)CC1.
What is the InChIKey of N-(2-adamantyl)-1-methylpiperidin-4-amine?
The InChIKey is BEJASFNINWPLHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-18-4-2-15(3-5-18)17-16-13-7-11-6-12(9-13)10-14(16)8-11/h11-17H,2-10H2,1H3.
What are the key properties of N-(2-adamantyl)-1-methylpiperidin-4-amine?
N-(2-adamantyl)-1-methylpiperidin-4-amine has a molecular weight of 248.41 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantyl)-1-methylpiperidin-4-amine is sourced from PubChem (CID 782009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).