5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-ethyl-2-(propan-2-ylamino)pentan-1-ol

C17H35N3O — CID 106809748

IUPAC5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-ethyl-2-(propan-2-ylamino)pentan-1-ol
SMILESCCC(CO)(CCCN1CCN2CCCC2C1)NC(C)C
InChIInChI=1S/C17H35N3O/c1-4-17(14-21,18-15(2)3)8-6-9-19-11-12-20-10-5-7-16(20)13-19/h15-16,18,21H,4-14H2,1-3H3
InChIKeyFKOFSFPGLKLSBZ-UHFFFAOYSA-N
MW297.49 g/mol
LogP1.69
Rot. Bonds8

About 5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-ethyl-2-(propan-2-ylamino)pentan-1-ol

5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-ethyl-2-(propan-2-ylamino)pentan-1-ol (PubChem CID 106809748) has the molecular formula C17H35N3O and a molecular weight of 297.49 g/mol. Its IUPAC name is 5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-ethyl-2-(propan-2-ylamino)pentan-1-ol.

Molecular Properties

Compound Name5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-ethyl-2-(propan-2-ylamino)pentan-1-ol
PubChem CID106809748
Molecular FormulaC17H35N3O
Molecular Weight297.49 g/mol
Exact Mass297.28
IUPAC Name5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-ethyl-2-(propan-2-ylamino)pentan-1-ol
SMILESCCC(CO)(CCCN1CCN2CCCC2C1)NC(C)C
InChIInChI=1S/C17H35N3O/c1-4-17(14-21,18-15(2)3)8-6-9-19-11-12-20-10-5-7-16(20)13-19/h15-16,18,21H,4-14H2,1-3H3
InChIKeyFKOFSFPGLKLSBZ-UHFFFAOYSA-N
XLogP1.69
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.49
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-ethyl-2-(propan-2-ylamino)pentan-1-ol with MolForge

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Launch Full Analysis

Related Compounds

2-ethyl-5-(3-ethylpiperidin-1-yl)-2-(propan-2-ylamino)pentan-1-ol
CID 106809284
2-ethyl-5-(3-ethylpyrrolidin-1-yl)-2-(propan-2-ylamino)pentan-1-ol
CID 106809851
2-ethyl-5-(4-methylpiperazin-1-yl)-2-(propan-2-ylamino)pentan-1-ol
CID 106809069
2-ethyl-5-(3-methoxypyrrolidin-1-yl)-2-(propan-2-ylamino)pentan-1-ol
CID 106809954
5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-amino-2-ethylpentanoic acid
CID 106806403
6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-methyl-2-(propylamino)hexan-1-ol
CID 79935464
5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-(ethylamino)-2-methylpentanoic acid
CID 79945721
6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)hexan-1-ol
CID 103737930
5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-ethyl-2-(propan-2-ylamino)pentan-1-ol
CID 106809903
2-ethyl-5-(2-ethylpiperidin-1-yl)-2-(propan-2-ylamino)pentan-1-ol
CID 106809193
5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-amino-2-methylpentanoic acid
CID 79945932
5-(3,3-diethylpyrrolidin-1-yl)-2-ethyl-2-(propan-2-ylamino)pentan-1-ol
CID 106809760

Frequently Asked Questions

What is the IUPAC name of 5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-ethyl-2-(propan-2-ylamino)pentan-1-ol?
The IUPAC name of 5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-ethyl-2-(propan-2-ylamino)pentan-1-ol (CID 106809748) is 5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-ethyl-2-(propan-2-ylamino)pentan-1-ol.
What is the SMILES notation for 5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-ethyl-2-(propan-2-ylamino)pentan-1-ol?
The canonical SMILES for 5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-ethyl-2-(propan-2-ylamino)pentan-1-ol is CCC(CO)(CCCN1CCN2CCCC2C1)NC(C)C.
What is the InChIKey of 5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-ethyl-2-(propan-2-ylamino)pentan-1-ol?
The InChIKey is FKOFSFPGLKLSBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3O/c1-4-17(14-21,18-15(2)3)8-6-9-19-11-12-20-10-5-7-16(20)13-19/h15-16,18,21H,4-14H2,1-3H3.
What are the key properties of 5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-ethyl-2-(propan-2-ylamino)pentan-1-ol?
5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-ethyl-2-(propan-2-ylamino)pentan-1-ol has a molecular weight of 297.49 g/mol, XLogP of 1.69, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-ethyl-2-(propan-2-ylamino)pentan-1-ol is sourced from PubChem (CID 106809748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).