N-[1-adamantyl(pyrazin-2-yl)methyl]ethanamine

C17H25N3 — CID 63969859

IUPACN-[1-adamantyl(pyrazin-2-yl)methyl]ethanamine
SMILESCCNC(c1cnccn1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H25N3/c1-2-19-16(15-11-18-3-4-20-15)17-8-12-5-13(9-17)7-14(6-12)10-17/h3-4,11-14,16,19H,2,5-10H2,1H3
InChIKeyYHVHQTXKOXRPRO-UHFFFAOYSA-N
MW271.41 g/mol
LogP3.34
Rot. Bonds4

About N-[1-adamantyl(pyrazin-2-yl)methyl]ethanamine

N-[1-adamantyl(pyrazin-2-yl)methyl]ethanamine (PubChem CID 63969859) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is N-[1-adamantyl(pyrazin-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[1-adamantyl(pyrazin-2-yl)methyl]ethanamine
PubChem CID63969859
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC NameN-[1-adamantyl(pyrazin-2-yl)methyl]ethanamine
SMILESCCNC(c1cnccn1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H25N3/c1-2-19-16(15-11-18-3-4-20-15)17-8-12-5-13(9-17)7-14(6-12)10-17/h3-4,11-14,16,19H,2,5-10H2,1H3
InChIKeyYHVHQTXKOXRPRO-UHFFFAOYSA-N
XLogP3.34
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-adamantyl(pyrazin-2-yl)methyl]ethanamine?
The IUPAC name of N-[1-adamantyl(pyrazin-2-yl)methyl]ethanamine (CID 63969859) is N-[1-adamantyl(pyrazin-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[1-adamantyl(pyrazin-2-yl)methyl]ethanamine?
The canonical SMILES for N-[1-adamantyl(pyrazin-2-yl)methyl]ethanamine is CCNC(c1cnccn1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[1-adamantyl(pyrazin-2-yl)methyl]ethanamine?
The InChIKey is YHVHQTXKOXRPRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-2-19-16(15-11-18-3-4-20-15)17-8-12-5-13(9-17)7-14(6-12)10-17/h3-4,11-14,16,19H,2,5-10H2,1H3.
What are the key properties of N-[1-adamantyl(pyrazin-2-yl)methyl]ethanamine?
N-[1-adamantyl(pyrazin-2-yl)methyl]ethanamine has a molecular weight of 271.41 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-adamantyl(pyrazin-2-yl)methyl]ethanamine is sourced from PubChem (CID 63969859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).