cyclohexyl-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanimine

C15H27N3 — CID 79936177

IUPACcyclohexyl-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanimine
SMILES[H]/N=C(\C1CCCCC1)N1CC2CCCN2CC1C
InChIInChI=1S/C15H27N3/c1-12-10-17-9-5-8-14(17)11-18(12)15(16)13-6-3-2-4-7-13/h12-14,16H,2-11H2,1H3/b16-15+
InChIKeyOIMOWTDPQZNOHO-FOCLMDBBSA-N
MW249.40 g/mol
LogP2.71
Rot. Bonds1

About cyclohexyl-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanimine

cyclohexyl-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanimine (PubChem CID 79936177) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is cyclohexyl-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanimine.

Molecular Properties

Compound Namecyclohexyl-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanimine
PubChem CID79936177
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Namecyclohexyl-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanimine
SMILES[H]/N=C(\C1CCCCC1)N1CC2CCCN2CC1C
InChIInChI=1S/C15H27N3/c1-12-10-17-9-5-8-14(17)11-18(12)15(16)13-6-3-2-4-7-13/h12-14,16H,2-11H2,1H3/b16-15+
InChIKeyOIMOWTDPQZNOHO-FOCLMDBBSA-N
XLogP2.71
TPSA30.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-cyclohexyl-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide
CID 116509404
N,3-dimethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide
CID 116509403
cyclopropyl-(2-methylpiperidin-1-yl)methanimine
CID 63178526
2,2-dimethyl-1-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)propan-1-one
CID 78992341
(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-piperidin-3-ylmethanone
CID 79935190
(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-[(3S)-piperidin-3-yl]methanone
CID 81134574
N'-amino-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboximidamide
CID 79943950
[4-(cyclohexanecarboximidoyl)-5-methylmorpholin-2-yl]methanol
CID 81212714
(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-pyrrolidin-3-ylmethanone
CID 79937868
(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-[(2R)-piperidin-2-yl]methanone
CID 113267598
1-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pentane-1,4-dione
CID 79931310
ethyl 3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxylate
CID 78992352

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanimine?
The IUPAC name of cyclohexyl-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanimine (CID 79936177) is cyclohexyl-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanimine.
What is the SMILES notation for cyclohexyl-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanimine?
The canonical SMILES for cyclohexyl-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanimine is [H]/N=C(\C1CCCCC1)N1CC2CCCN2CC1C.
What is the InChIKey of cyclohexyl-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanimine?
The InChIKey is OIMOWTDPQZNOHO-FOCLMDBBSA-N. The full InChI is InChI=1S/C15H27N3/c1-12-10-17-9-5-8-14(17)11-18(12)15(16)13-6-3-2-4-7-13/h12-14,16H,2-11H2,1H3/b16-15+.
What are the key properties of cyclohexyl-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanimine?
cyclohexyl-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanimine has a molecular weight of 249.40 g/mol, XLogP of 2.71, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanimine is sourced from PubChem (CID 79936177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).