2-(2-methylpropyl)-9-pyrazin-2-yl-2,9-diazaspiro[5.5]undecane

C17H28N4 — CID 97484598

IUPAC2-(2-methylpropyl)-9-pyrazin-2-yl-2,9-diazaspiro[5.5]undecane
SMILESCC(C)CN1CCCC2(CCN(c3cnccn3)CC2)C1
InChIInChI=1S/C17H28N4/c1-15(2)13-20-9-3-4-17(14-20)5-10-21(11-6-17)16-12-18-7-8-19-16/h7-8,12,15H,3-6,9-11,13-14H2,1-2H3
InChIKeyWHGRYVYJYWLWHI-UHFFFAOYSA-N
MW288.44 g/mol
LogP2.82
Rot. Bonds3

About 2-(2-methylpropyl)-9-pyrazin-2-yl-2,9-diazaspiro[5.5]undecane

2-(2-methylpropyl)-9-pyrazin-2-yl-2,9-diazaspiro[5.5]undecane (PubChem CID 97484598) has the molecular formula C17H28N4 and a molecular weight of 288.44 g/mol. Its IUPAC name is 2-(2-methylpropyl)-9-pyrazin-2-yl-2,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name2-(2-methylpropyl)-9-pyrazin-2-yl-2,9-diazaspiro[5.5]undecane
PubChem CID97484598
Molecular FormulaC17H28N4
Molecular Weight288.44 g/mol
Exact Mass288.23
IUPAC Name2-(2-methylpropyl)-9-pyrazin-2-yl-2,9-diazaspiro[5.5]undecane
SMILESCC(C)CN1CCCC2(CCN(c3cnccn3)CC2)C1
InChIInChI=1S/C17H28N4/c1-15(2)13-20-9-3-4-17(14-20)5-10-21(11-6-17)16-12-18-7-8-19-16/h7-8,12,15H,3-6,9-11,13-14H2,1-2H3
InChIKeyWHGRYVYJYWLWHI-UHFFFAOYSA-N
XLogP2.82
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(5S)-9-(2-methylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]pyridine-3-carbonitrile
CID 97482358
9-[(2-fluoro-5-methoxyphenyl)methyl]-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decane
CID 70751244
2-pyrazin-2-yl-2,9-diazaspiro[4.5]decane
CID 56750395
(5S)-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decane
CID 95203740
2,8-bis(2-methylpropyl)-2,8-diazaspiro[4.5]decane
CID 129193421
11-pyrazin-2-yl-2-(pyridin-2-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 131659145
(6R)-2-benzyl-11-pyrazin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 97494806
2-[(5-methylfuran-2-yl)methyl]-11-pyrazin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 131639945
(4aR,9aR)-4-(2-methylpropyl)-7-pyrazin-2-yl-2,3,4a,5,6,8,9,9a-octahydro-[1,4]oxazino[2,3-d]azepine
CID 124825190
1-(2-methoxyethyl)-8-pyrazin-2-yl-1,8-diazaspiro[4.5]decane
CID 97396877
2-[(4-fluorophenyl)methyl]-11-pyrazin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 131651615
1-(cyclopropylmethyl)-8-pyrazin-2-yl-1,8-diazaspiro[4.5]decane
CID 97396887

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)-9-pyrazin-2-yl-2,9-diazaspiro[5.5]undecane?
The IUPAC name of 2-(2-methylpropyl)-9-pyrazin-2-yl-2,9-diazaspiro[5.5]undecane (CID 97484598) is 2-(2-methylpropyl)-9-pyrazin-2-yl-2,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 2-(2-methylpropyl)-9-pyrazin-2-yl-2,9-diazaspiro[5.5]undecane?
The canonical SMILES for 2-(2-methylpropyl)-9-pyrazin-2-yl-2,9-diazaspiro[5.5]undecane is CC(C)CN1CCCC2(CCN(c3cnccn3)CC2)C1.
What is the InChIKey of 2-(2-methylpropyl)-9-pyrazin-2-yl-2,9-diazaspiro[5.5]undecane?
The InChIKey is WHGRYVYJYWLWHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4/c1-15(2)13-20-9-3-4-17(14-20)5-10-21(11-6-17)16-12-18-7-8-19-16/h7-8,12,15H,3-6,9-11,13-14H2,1-2H3.
What are the key properties of 2-(2-methylpropyl)-9-pyrazin-2-yl-2,9-diazaspiro[5.5]undecane?
2-(2-methylpropyl)-9-pyrazin-2-yl-2,9-diazaspiro[5.5]undecane has a molecular weight of 288.44 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)-9-pyrazin-2-yl-2,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 97484598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).