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

C14H29N3O — CID 79941209

IUPAC2-(methoxymethyl)-2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)butan-1-amine
SMILESCCC(CN)(COC)N1CC2CCCN2CC1C
InChIInChI=1S/C14H29N3O/c1-4-14(10-15,11-18-3)17-9-13-6-5-7-16(13)8-12(17)2/h12-13H,4-11,15H2,1-3H3
InChIKeySPJMQYLWOFWJEE-UHFFFAOYSA-N
MW255.41 g/mol
LogP0.91
Rot. Bonds5

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

2-(methoxymethyl)-2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)butan-1-amine (PubChem CID 79941209) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is 2-(methoxymethyl)-2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)butan-1-amine.

Molecular Properties

Compound Name2-(methoxymethyl)-2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)butan-1-amine
PubChem CID79941209
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name2-(methoxymethyl)-2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)butan-1-amine
SMILESCCC(CN)(COC)N1CC2CCCN2CC1C
InChIInChI=1S/C14H29N3O/c1-4-14(10-15,11-18-3)17-9-13-6-5-7-16(13)8-12(17)2/h12-13H,4-11,15H2,1-3H3
InChIKeySPJMQYLWOFWJEE-UHFFFAOYSA-N
XLogP0.91
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-2-(2-methylbutan-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79931346
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-ethylbutan-1-amine
CID 79937927
2,5-dimethyl-2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)hexan-1-amine
CID 79930355
6,6,6-trifluoro-2-methyl-2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)hexan-1-amine
CID 116535380
2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-3-methoxy-2-methylpropan-1-amine
CID 55166749
3-methyl-2-(2-methylbut-3-yn-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79939266
2-ethyl-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 112734151
2-(methoxymethyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butan-1-amine
CID 66391298
1-amino-2-methyl-3-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)propan-2-ol
CID 79924930
3-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]pentan-3-ol
CID 115919455
2-(2-methoxy-2-methylpropyl)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 104567408
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 2-(methoxymethyl)-2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)butan-1-amine?
The IUPAC name of 2-(methoxymethyl)-2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)butan-1-amine (CID 79941209) is 2-(methoxymethyl)-2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)butan-1-amine.
What is the SMILES notation for 2-(methoxymethyl)-2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)butan-1-amine?
The canonical SMILES for 2-(methoxymethyl)-2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)butan-1-amine is CCC(CN)(COC)N1CC2CCCN2CC1C.
What is the InChIKey of 2-(methoxymethyl)-2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)butan-1-amine?
The InChIKey is SPJMQYLWOFWJEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-4-14(10-15,11-18-3)17-9-13-6-5-7-16(13)8-12(17)2/h12-13H,4-11,15H2,1-3H3.
What are the key properties of 2-(methoxymethyl)-2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)butan-1-amine?
2-(methoxymethyl)-2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)butan-1-amine has a molecular weight of 255.41 g/mol, XLogP of 0.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)butan-1-amine is sourced from PubChem (CID 79941209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).