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

C16H33N3 — CID 106800011

IUPACN-ethyl-6-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)hexan-3-amine
SMILESCCNC(CC)CCCN1CC2CCCN2CC1C
InChIInChI=1S/C16H33N3/c1-4-15(17-5-2)8-6-10-18-13-16-9-7-11-19(16)12-14(18)3/h14-17H,4-13H2,1-3H3
InChIKeyHMJDLAWAHVZIJB-UHFFFAOYSA-N
MW267.46 g/mol
LogP2.32
Rot. Bonds7

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

N-ethyl-6-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)hexan-3-amine (PubChem CID 106800011) has the molecular formula C16H33N3 and a molecular weight of 267.46 g/mol. Its IUPAC name is N-ethyl-6-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)hexan-3-amine.

Molecular Properties

Compound NameN-ethyl-6-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)hexan-3-amine
PubChem CID106800011
Molecular FormulaC16H33N3
Molecular Weight267.46 g/mol
Exact Mass267.27
IUPAC NameN-ethyl-6-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)hexan-3-amine
SMILESCCNC(CC)CCCN1CC2CCCN2CC1C
InChIInChI=1S/C16H33N3/c1-4-15(17-5-2)8-6-10-18-13-16-9-7-11-19(16)12-14(18)3/h14-17H,4-13H2,1-3H3
InChIKeyHMJDLAWAHVZIJB-UHFFFAOYSA-N
XLogP2.32
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
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

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Related Compounds

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
2-(ethylamino)-3-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)propan-1-ol
CID 79924571
6-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)hexan-1-amine
CID 79943167
2-ethyl-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 112734151
N-[3-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propyl]cyclopentanamine
CID 79945215
6-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-propan-2-ylhexan-1-amine
CID 79943327
2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanol
CID 115824235
N-[5-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pentyl]cyclopropanamine
CID 79946044
1-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-propylpentan-2-amine
CID 79938912
2-(ethylamino)-2-methyl-5-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pentanoic acid
CID 79931921
6-(4-cyclopropylpiperazin-1-yl)-N-ethylhexan-3-amine
CID 106799531
N-[2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethyl]cyclopentanamine
CID 79944036

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)hexan-3-amine?
The IUPAC name of 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) is N-ethyl-6-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)hexan-3-amine.
What is the SMILES notation for N-ethyl-6-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)hexan-3-amine?
The canonical SMILES for N-ethyl-6-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)hexan-3-amine is CCNC(CC)CCCN1CC2CCCN2CC1C.
What is the InChIKey of N-ethyl-6-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)hexan-3-amine?
The InChIKey is HMJDLAWAHVZIJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3/c1-4-15(17-5-2)8-6-10-18-13-16-9-7-11-19(16)12-14(18)3/h14-17H,4-13H2,1-3H3.
What are the key properties of N-ethyl-6-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)hexan-3-amine?
N-ethyl-6-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)hexan-3-amine has a molecular weight of 267.46 g/mol, XLogP of 2.32, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)hexan-3-amine is sourced from PubChem (CID 106800011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).