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

C17H30N2 — CID 759986

IUPACN-(2-piperidin-1-ylethyl)adamantan-2-amine
SMILESC1CCN(CCNC2C3CC4CC(C3)CC2C4)CC1
InChIInChI=1S/C17H30N2/c1-2-5-19(6-3-1)7-4-18-17-15-9-13-8-14(11-15)12-16(17)10-13/h13-18H,1-12H2
InChIKeyIAVHTDQHPCGXFZ-UHFFFAOYSA-N
MW262.44 g/mol
LogP2.89
Rot. Bonds4

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

N-(2-piperidin-1-ylethyl)adamantan-2-amine (PubChem CID 759986) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is N-(2-piperidin-1-ylethyl)adamantan-2-amine.

Molecular Properties

Compound NameN-(2-piperidin-1-ylethyl)adamantan-2-amine
PubChem CID759986
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC NameN-(2-piperidin-1-ylethyl)adamantan-2-amine
SMILESC1CCN(CCNC2C3CC4CC(C3)CC2C4)CC1
InChIInChI=1S/C17H30N2/c1-2-5-19(6-3-1)7-4-18-17-15-9-13-8-14(11-15)12-16(17)10-13/h13-18H,1-12H2
InChIKeyIAVHTDQHPCGXFZ-UHFFFAOYSA-N
XLogP2.89
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 52.89
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-ylethyl)adamantan-2-amine?
The IUPAC name of N-(2-piperidin-1-ylethyl)adamantan-2-amine (CID 759986) is N-(2-piperidin-1-ylethyl)adamantan-2-amine.
What is the SMILES notation for N-(2-piperidin-1-ylethyl)adamantan-2-amine?
The canonical SMILES for N-(2-piperidin-1-ylethyl)adamantan-2-amine is C1CCN(CCNC2C3CC4CC(C3)CC2C4)CC1.
What is the InChIKey of N-(2-piperidin-1-ylethyl)adamantan-2-amine?
The InChIKey is IAVHTDQHPCGXFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-2-5-19(6-3-1)7-4-18-17-15-9-13-8-14(11-15)12-16(17)10-13/h13-18H,1-12H2.
What are the key properties of N-(2-piperidin-1-ylethyl)adamantan-2-amine?
N-(2-piperidin-1-ylethyl)adamantan-2-amine has a molecular weight of 262.44 g/mol, XLogP of 2.89, 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-ylethyl)adamantan-2-amine is sourced from PubChem (CID 759986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).