N-[5-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pentyl]cyclopropanamine

C16H31N3 — CID 79946044

IUPACN-[5-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pentyl]cyclopropanamine
SMILESCC1CN2CCCC2CN1CCCCCNC1CC1
InChIInChI=1S/C16H31N3/c1-14-12-19-11-5-6-16(19)13-18(14)10-4-2-3-9-17-15-7-8-15/h14-17H,2-13H2,1H3
InChIKeyLTATWDAYPAITNR-UHFFFAOYSA-N
MW265.44 g/mol
LogP2.08
Rot. Bonds7

About N-[5-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pentyl]cyclopropanamine

N-[5-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pentyl]cyclopropanamine (PubChem CID 79946044) has the molecular formula C16H31N3 and a molecular weight of 265.44 g/mol. Its IUPAC name is N-[5-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pentyl]cyclopropanamine.

Molecular Properties

Compound NameN-[5-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pentyl]cyclopropanamine
PubChem CID79946044
Molecular FormulaC16H31N3
Molecular Weight265.44 g/mol
Exact Mass265.25
IUPAC NameN-[5-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pentyl]cyclopropanamine
SMILESCC1CN2CCCC2CN1CCCCCNC1CC1
InChIInChI=1S/C16H31N3/c1-14-12-19-11-5-6-16(19)13-18(14)10-4-2-3-9-17-15-7-8-15/h14-17H,2-13H2,1H3
InChIKeyLTATWDAYPAITNR-UHFFFAOYSA-N
XLogP2.08
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[6-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)hexyl]cyclopropanamine
CID 79918072
N-[3-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propyl]cyclopentanamine
CID 79945215
N-[2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethyl]cyclopentanamine
CID 79944036
6-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-propan-2-ylhexan-1-amine
CID 79945340
N-[2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethyl]cyclohexanamine
CID 79047120
6-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)hexan-1-amine
CID 79943167
2-(2-cyclopentyloxyethyl)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79939800
2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanol
CID 115824235
N-[3-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propyl]aniline
CID 79945632
N-[3-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)butyl]cyclopropanamine
CID 79946109
N-ethyl-6-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)hexan-3-amine
CID 106800011
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

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pentyl]cyclopropanamine?
The IUPAC name of N-[5-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pentyl]cyclopropanamine (CID 79946044) is N-[5-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pentyl]cyclopropanamine.
What is the SMILES notation for N-[5-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pentyl]cyclopropanamine?
The canonical SMILES for N-[5-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pentyl]cyclopropanamine is CC1CN2CCCC2CN1CCCCCNC1CC1.
What is the InChIKey of N-[5-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pentyl]cyclopropanamine?
The InChIKey is LTATWDAYPAITNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3/c1-14-12-19-11-5-6-16(19)13-18(14)10-4-2-3-9-17-15-7-8-15/h14-17H,2-13H2,1H3.
What are the key properties of N-[5-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pentyl]cyclopropanamine?
N-[5-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pentyl]cyclopropanamine has a molecular weight of 265.44 g/mol, XLogP of 2.08, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pentyl]cyclopropanamine is sourced from PubChem (CID 79946044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).