N-(2-piperidin-1-ylpropyl)adamantan-2-amine

C18H32N2 — CID 63452586

IUPACN-(2-piperidin-1-ylpropyl)adamantan-2-amine
SMILESCC(CNC1C2CC3CC(C2)CC1C3)N1CCCCC1
InChIInChI=1S/C18H32N2/c1-13(20-5-3-2-4-6-20)12-19-18-16-8-14-7-15(10-16)11-17(18)9-14/h13-19H,2-12H2,1H3
InChIKeyNUFAINTWRCXDIC-UHFFFAOYSA-N
MW276.47 g/mol
LogP3.28
Rot. Bonds4

About N-(2-piperidin-1-ylpropyl)adamantan-2-amine

N-(2-piperidin-1-ylpropyl)adamantan-2-amine (PubChem CID 63452586) has the molecular formula C18H32N2 and a molecular weight of 276.47 g/mol. Its IUPAC name is N-(2-piperidin-1-ylpropyl)adamantan-2-amine.

Molecular Properties

Compound NameN-(2-piperidin-1-ylpropyl)adamantan-2-amine
PubChem CID63452586
Molecular FormulaC18H32N2
Molecular Weight276.47 g/mol
Exact Mass276.26
IUPAC NameN-(2-piperidin-1-ylpropyl)adamantan-2-amine
SMILESCC(CNC1C2CC3CC(C2)CC1C3)N1CCCCC1
InChIInChI=1S/C18H32N2/c1-13(20-5-3-2-4-6-20)12-19-18-16-8-14-7-15(10-16)11-17(18)9-14/h13-19H,2-12H2,1H3
InChIKeyNUFAINTWRCXDIC-UHFFFAOYSA-N
XLogP3.28
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.47
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-piperidin-1-ylpropyl)adamantan-2-amine?
The IUPAC name of N-(2-piperidin-1-ylpropyl)adamantan-2-amine (CID 63452586) is N-(2-piperidin-1-ylpropyl)adamantan-2-amine.
What is the SMILES notation for N-(2-piperidin-1-ylpropyl)adamantan-2-amine?
The canonical SMILES for N-(2-piperidin-1-ylpropyl)adamantan-2-amine is CC(CNC1C2CC3CC(C2)CC1C3)N1CCCCC1.
What is the InChIKey of N-(2-piperidin-1-ylpropyl)adamantan-2-amine?
The InChIKey is NUFAINTWRCXDIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2/c1-13(20-5-3-2-4-6-20)12-19-18-16-8-14-7-15(10-16)11-17(18)9-14/h13-19H,2-12H2,1H3.
What are the key properties of N-(2-piperidin-1-ylpropyl)adamantan-2-amine?
N-(2-piperidin-1-ylpropyl)adamantan-2-amine has a molecular weight of 276.47 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-piperidin-1-ylpropyl)adamantan-2-amine is sourced from PubChem (CID 63452586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).