N-[2-ethyl-2-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]butyl]cyclopropanamine

C18H35N3 — CID 79933628

IUPACN-[2-ethyl-2-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]butyl]cyclopropanamine
SMILESCCC(CC)(CNC1CC1)CN1CC2CCCN2CC1C
InChIInChI=1S/C18H35N3/c1-4-18(5-2,13-19-16-8-9-16)14-21-12-17-7-6-10-20(17)11-15(21)3/h15-17,19H,4-14H2,1-3H3
InChIKeyXUJZYUGSYCWLJB-UHFFFAOYSA-N
MW293.50 g/mol
LogP2.71
Rot. Bonds7

About N-[2-ethyl-2-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]butyl]cyclopropanamine

N-[2-ethyl-2-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]butyl]cyclopropanamine (PubChem CID 79933628) has the molecular formula C18H35N3 and a molecular weight of 293.50 g/mol. Its IUPAC name is N-[2-ethyl-2-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]butyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-ethyl-2-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]butyl]cyclopropanamine
PubChem CID79933628
Molecular FormulaC18H35N3
Molecular Weight293.50 g/mol
Exact Mass293.28
IUPAC NameN-[2-ethyl-2-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]butyl]cyclopropanamine
SMILESCCC(CC)(CNC1CC1)CN1CC2CCCN2CC1C
InChIInChI=1S/C18H35N3/c1-4-18(5-2,13-19-16-8-9-16)14-21-12-17-7-6-10-20(17)11-15(21)3/h15-17,19H,4-14H2,1-3H3
InChIKeyXUJZYUGSYCWLJB-UHFFFAOYSA-N
XLogP2.71
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.50
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-ethyl-2-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]butyl]cyclopropanamine with MolForge

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Related Compounds

N-[2-methyl-2-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]pentyl]cyclopropanamine
CID 79933854
2-[2-(bromomethyl)-2-ethylbutyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79943358
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-methyl-2-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]-N-propan-2-ylbutan-1-amine
CID 79945731
N-ethyl-2-methyl-1-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propan-2-amine
CID 79943170
N,2-dimethyl-1-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propan-2-amine
CID 79943400
2-(2-methoxy-2-methylpropyl)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 104567408
2-ethyl-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 112734151
2-ethyl-2-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]butanal
CID 79946150
N,2-dimethyl-2-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]butan-1-amine
CID 79924593
N-[2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethyl]cyclopentanamine
CID 79944036
N-[5-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pentyl]cyclopropanamine
CID 79946044

Frequently Asked Questions

What is the IUPAC name of N-[2-ethyl-2-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]butyl]cyclopropanamine?
The IUPAC name of N-[2-ethyl-2-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]butyl]cyclopropanamine (CID 79933628) is N-[2-ethyl-2-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]butyl]cyclopropanamine.
What is the SMILES notation for N-[2-ethyl-2-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]butyl]cyclopropanamine?
The canonical SMILES for N-[2-ethyl-2-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]butyl]cyclopropanamine is CCC(CC)(CNC1CC1)CN1CC2CCCN2CC1C.
What is the InChIKey of N-[2-ethyl-2-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]butyl]cyclopropanamine?
The InChIKey is XUJZYUGSYCWLJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3/c1-4-18(5-2,13-19-16-8-9-16)14-21-12-17-7-6-10-20(17)11-15(21)3/h15-17,19H,4-14H2,1-3H3.
What are the key properties of N-[2-ethyl-2-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]butyl]cyclopropanamine?
N-[2-ethyl-2-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]butyl]cyclopropanamine has a molecular weight of 293.50 g/mol, XLogP of 2.71, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-ethyl-2-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]butyl]cyclopropanamine is sourced from PubChem (CID 79933628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).