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

C18H35N3 — CID 79928660

IUPAC2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-ethyl-N-propylcyclohexan-1-amine
SMILESCCCNC1CCC(CC)CC1N1CCN2CCCC2C1
InChIInChI=1S/C18H35N3/c1-3-9-19-17-8-7-15(4-2)13-18(17)21-12-11-20-10-5-6-16(20)14-21/h15-19H,3-14H2,1-2H3
InChIKeyNFZZFKODEKPZQC-UHFFFAOYSA-N
MW293.50 g/mol
LogP2.71
Rot. Bonds5

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

2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-ethyl-N-propylcyclohexan-1-amine (PubChem CID 79928660) has the molecular formula C18H35N3 and a molecular weight of 293.50 g/mol. Its IUPAC name is 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-ethyl-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-ethyl-N-propylcyclohexan-1-amine
PubChem CID79928660
Molecular FormulaC18H35N3
Molecular Weight293.50 g/mol
Exact Mass293.28
IUPAC Name2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-ethyl-N-propylcyclohexan-1-amine
SMILESCCCNC1CCC(CC)CC1N1CCN2CCCC2C1
InChIInChI=1S/C18H35N3/c1-3-9-19-17-8-7-15(4-2)13-18(17)21-12-11-20-10-5-6-16(20)14-21/h15-19H,3-14H2,1-2H3
InChIKeyNFZZFKODEKPZQC-UHFFFAOYSA-N
XLogP2.71
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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

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Related Compounds

2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-propylcyclohexan-1-amine
CID 79938748
4-ethyl-2-[3-(methoxymethyl)pyrrolidin-1-yl]-N-propylcyclohexan-1-amine
CID 64570091
4-ethyl-N-methyl-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)cyclohexan-1-amine
CID 63169906
4-ethyl-2-(4-methylpiperidin-1-yl)-N-propylcyclohexan-1-amine
CID 55192276
2-(3,4-dimethoxypyrrolidin-1-yl)-4-ethyl-N-propylcyclohexan-1-amine
CID 103532460
4-ethyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-N-propylcyclohexan-1-amine
CID 66393072
2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-4-ethylcyclohexan-1-ol
CID 79935309
2-(azocan-1-yl)-N,4-diethylcyclohexan-1-amine
CID 63465174
2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-4-ethylcyclohexane-1-carbonitrile
CID 63150575
6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2,2-dimethyl-N-propylcyclohexan-1-amine
CID 79927085
2-(3-ethyl-4-methylpiperazin-1-yl)-4-methyl-N-propylcyclohexan-1-amine
CID 63609506
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)-N-propylcyclohexan-1-amine
CID 79945526

Frequently Asked Questions

What is the IUPAC name of 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-ethyl-N-propylcyclohexan-1-amine?
The IUPAC name of 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-ethyl-N-propylcyclohexan-1-amine (CID 79928660) is 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-ethyl-N-propylcyclohexan-1-amine.
What is the SMILES notation for 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-ethyl-N-propylcyclohexan-1-amine?
The canonical SMILES for 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-ethyl-N-propylcyclohexan-1-amine is CCCNC1CCC(CC)CC1N1CCN2CCCC2C1.
What is the InChIKey of 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-ethyl-N-propylcyclohexan-1-amine?
The InChIKey is NFZZFKODEKPZQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3/c1-3-9-19-17-8-7-15(4-2)13-18(17)21-12-11-20-10-5-6-16(20)14-21/h15-19H,3-14H2,1-2H3.
What are the key properties of 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-ethyl-N-propylcyclohexan-1-amine?
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-ethyl-N-propylcyclohexan-1-amine has a molecular weight of 293.50 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-ethyl-N-propylcyclohexan-1-amine is sourced from PubChem (CID 79928660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).