N-(pyrimidin-5-ylmethyl)adamantan-1-amine

C15H21N3 — CID 62758937

IUPACN-(pyrimidin-5-ylmethyl)adamantan-1-amine
SMILESc1ncc(CNC23CC4CC(CC(C4)C2)C3)cn1
InChIInChI=1S/C15H21N3/c1-11-2-13-3-12(1)5-15(4-11,6-13)18-9-14-7-16-10-17-8-14/h7-8,10-13,18H,1-6,9H2
InChIKeyNVGRGMBLZXVOSP-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.54
Rot. Bonds3

About N-(pyrimidin-5-ylmethyl)adamantan-1-amine

N-(pyrimidin-5-ylmethyl)adamantan-1-amine (PubChem CID 62758937) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is N-(pyrimidin-5-ylmethyl)adamantan-1-amine.

Molecular Properties

Compound NameN-(pyrimidin-5-ylmethyl)adamantan-1-amine
PubChem CID62758937
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC NameN-(pyrimidin-5-ylmethyl)adamantan-1-amine
SMILESc1ncc(CNC23CC4CC(CC(C4)C2)C3)cn1
InChIInChI=1S/C15H21N3/c1-11-2-13-3-12(1)5-15(4-11,6-13)18-9-14-7-16-10-17-8-14/h7-8,10-13,18H,1-6,9H2
InChIKeyNVGRGMBLZXVOSP-UHFFFAOYSA-N
XLogP2.54
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(pyrimidin-5-ylmethyl)adamantan-1-amine?
The IUPAC name of N-(pyrimidin-5-ylmethyl)adamantan-1-amine (CID 62758937) is N-(pyrimidin-5-ylmethyl)adamantan-1-amine.
What is the SMILES notation for N-(pyrimidin-5-ylmethyl)adamantan-1-amine?
The canonical SMILES for N-(pyrimidin-5-ylmethyl)adamantan-1-amine is c1ncc(CNC23CC4CC(CC(C4)C2)C3)cn1.
What is the InChIKey of N-(pyrimidin-5-ylmethyl)adamantan-1-amine?
The InChIKey is NVGRGMBLZXVOSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-11-2-13-3-12(1)5-15(4-11,6-13)18-9-14-7-16-10-17-8-14/h7-8,10-13,18H,1-6,9H2.
What are the key properties of N-(pyrimidin-5-ylmethyl)adamantan-1-amine?
N-(pyrimidin-5-ylmethyl)adamantan-1-amine has a molecular weight of 243.35 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyrimidin-5-ylmethyl)adamantan-1-amine is sourced from PubChem (CID 62758937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).