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

C16H33N3 — CID 79945499

IUPACN-[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethyl]heptan-2-amine
SMILESCCCCCC(C)NCCN1CCN2CCCC2C1
InChIInChI=1S/C16H33N3/c1-3-4-5-7-15(2)17-9-11-18-12-13-19-10-6-8-16(19)14-18/h15-17H,3-14H2,1-2H3
InChIKeyGKMQWYLWQMWUOE-UHFFFAOYSA-N
MW267.46 g/mol
LogP2.32
Rot. Bonds8

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

N-[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethyl]heptan-2-amine (PubChem CID 79945499) has the molecular formula C16H33N3 and a molecular weight of 267.46 g/mol. Its IUPAC name is N-[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethyl]heptan-2-amine.

Molecular Properties

Compound NameN-[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethyl]heptan-2-amine
PubChem CID79945499
Molecular FormulaC16H33N3
Molecular Weight267.46 g/mol
Exact Mass267.27
IUPAC NameN-[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethyl]heptan-2-amine
SMILESCCCCCC(C)NCCN1CCN2CCCC2C1
InChIInChI=1S/C16H33N3/c1-3-4-5-7-15(2)17-9-11-18-12-13-19-10-6-8-16(19)14-18/h15-17H,3-14H2,1-2H3
InChIKeyGKMQWYLWQMWUOE-UHFFFAOYSA-N
XLogP2.32
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 52.32
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-[2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)ethyl]pentan-2-amine
CID 63151207
6-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-N-propylhexan-2-amine
CID 63151141
6-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-N-ethylhexan-2-amine
CID 63151140
N-[2-(azepan-1-yl)ethyl]heptan-2-amine
CID 61241150
N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]heptan-2-amine
CID 62560602
2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N-(dicyclopropylmethyl)ethanamine
CID 79917075
5-(3-morpholin-4-ylpyrrolidin-1-yl)-N-propylpentan-2-amine
CID 63169783
4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-methylbutan-1-amine
CID 79943415
N-[2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]ethyl]heptan-2-amine
CID 102728648
4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N-methylbutan-2-amine
CID 79932112
4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3,3-dimethyl-N-propylbutan-2-amine
CID 79945323
2-octyl-3,4,5,7,8,9,10,10a-octahydro-1H-pyrido[1,2-a][1,4]diazepine
CID 115565138

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethyl]heptan-2-amine?
The IUPAC name of N-[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethyl]heptan-2-amine (CID 79945499) is N-[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethyl]heptan-2-amine.
What is the SMILES notation for N-[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethyl]heptan-2-amine?
The canonical SMILES for N-[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethyl]heptan-2-amine is CCCCCC(C)NCCN1CCN2CCCC2C1.
What is the InChIKey of N-[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethyl]heptan-2-amine?
The InChIKey is GKMQWYLWQMWUOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3/c1-3-4-5-7-15(2)17-9-11-18-12-13-19-10-6-8-16(19)14-18/h15-17H,3-14H2,1-2H3.
What are the key properties of N-[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethyl]heptan-2-amine?
N-[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethyl]heptan-2-amine has a molecular weight of 267.46 g/mol, XLogP of 2.32, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethyl]heptan-2-amine is sourced from PubChem (CID 79945499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).