N-[(2-methyloxan-2-yl)-pyrazin-2-ylmethyl]ethanamine

C13H21N3O — CID 80683646

IUPACN-[(2-methyloxan-2-yl)-pyrazin-2-ylmethyl]ethanamine
SMILESCCNC(c1cnccn1)C1(C)CCCCO1
InChIInChI=1S/C13H21N3O/c1-3-15-12(11-10-14-7-8-16-11)13(2)6-4-5-9-17-13/h7-8,10,12,15H,3-6,9H2,1-2H3
InChIKeyQSTRMYCPTICEBQ-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.09
Rot. Bonds4

About N-[(2-methyloxan-2-yl)-pyrazin-2-ylmethyl]ethanamine

N-[(2-methyloxan-2-yl)-pyrazin-2-ylmethyl]ethanamine (PubChem CID 80683646) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is N-[(2-methyloxan-2-yl)-pyrazin-2-ylmethyl]ethanamine.

Molecular Properties

Compound NameN-[(2-methyloxan-2-yl)-pyrazin-2-ylmethyl]ethanamine
PubChem CID80683646
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC NameN-[(2-methyloxan-2-yl)-pyrazin-2-ylmethyl]ethanamine
SMILESCCNC(c1cnccn1)C1(C)CCCCO1
InChIInChI=1S/C13H21N3O/c1-3-15-12(11-10-14-7-8-16-11)13(2)6-4-5-9-17-13/h7-8,10,12,15H,3-6,9H2,1-2H3
InChIKeyQSTRMYCPTICEBQ-UHFFFAOYSA-N
XLogP2.09
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-piperidin-1-ylcyclopentyl)-pyrazin-2-ylmethyl]ethanamine
CID 79058513
N-[(2-methyloxan-2-yl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]ethanamine
CID 102708424
N-[(2-methyloxan-2-yl)-quinolin-8-ylmethyl]ethanamine
CID 81229913
N-[1-adamantyl(pyrazin-2-yl)methyl]ethanamine
CID 63969859
N-[[1-(2-methylpropyl)cyclopentyl]-pyrazin-2-ylmethyl]propan-1-amine
CID 115860311
N,N-diethyl-1-[methylamino(pyrazin-2-yl)methyl]cyclopentan-1-amine
CID 79069881
N-[(4-bromo-1-methylpyrazol-5-yl)-(2-methyloxolan-2-yl)methyl]ethanamine
CID 114658262
[(1-ethoxycyclopentyl)-pyrazin-2-ylmethyl]hydrazine
CID 105275845
N-[(3-fluoro-4-pyridinyl)-(1-methylcyclopentyl)methyl]ethanamine
CID 105038430
N-[3,4-dihydro-2H-chromen-8-yl-(2-methyloxan-2-yl)methyl]ethanamine
CID 114745944
N-methyl-1-(2-methyloxan-2-yl)-1-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102708423
N-[1-oxa-9-thiaspiro[5.5]undecan-4-yl(pyrazin-2-yl)methyl]ethanamine
CID 79908127

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyloxan-2-yl)-pyrazin-2-ylmethyl]ethanamine?
The IUPAC name of N-[(2-methyloxan-2-yl)-pyrazin-2-ylmethyl]ethanamine (CID 80683646) is N-[(2-methyloxan-2-yl)-pyrazin-2-ylmethyl]ethanamine.
What is the SMILES notation for N-[(2-methyloxan-2-yl)-pyrazin-2-ylmethyl]ethanamine?
The canonical SMILES for N-[(2-methyloxan-2-yl)-pyrazin-2-ylmethyl]ethanamine is CCNC(c1cnccn1)C1(C)CCCCO1.
What is the InChIKey of N-[(2-methyloxan-2-yl)-pyrazin-2-ylmethyl]ethanamine?
The InChIKey is QSTRMYCPTICEBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-3-15-12(11-10-14-7-8-16-11)13(2)6-4-5-9-17-13/h7-8,10,12,15H,3-6,9H2,1-2H3.
What are the key properties of N-[(2-methyloxan-2-yl)-pyrazin-2-ylmethyl]ethanamine?
N-[(2-methyloxan-2-yl)-pyrazin-2-ylmethyl]ethanamine has a molecular weight of 235.33 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyloxan-2-yl)-pyrazin-2-ylmethyl]ethanamine is sourced from PubChem (CID 80683646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).