1-amino-2-[2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethyl]cyclopentane-1-carbonitrile

C16H28N4 — CID 79943776

IUPAC1-amino-2-[2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethyl]cyclopentane-1-carbonitrile
SMILESCC1CN2CCCC2CN1CCC1CCCC1(N)C#N
InChIInChI=1S/C16H28N4/c1-13-10-20-8-3-5-15(20)11-19(13)9-6-14-4-2-7-16(14,18)12-17/h13-15H,2-11,18H2,1H3
InChIKeyJQSSLKFFHCWNSU-UHFFFAOYSA-N
MW276.43 g/mol
LogP1.57
Rot. Bonds3

About 1-amino-2-[2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethyl]cyclopentane-1-carbonitrile

1-amino-2-[2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethyl]cyclopentane-1-carbonitrile (PubChem CID 79943776) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is 1-amino-2-[2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethyl]cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-amino-2-[2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethyl]cyclopentane-1-carbonitrile
PubChem CID79943776
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC Name1-amino-2-[2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethyl]cyclopentane-1-carbonitrile
SMILESCC1CN2CCCC2CN1CCC1CCCC1(N)C#N
InChIInChI=1S/C16H28N4/c1-13-10-20-8-3-5-15(20)11-19(13)9-6-14-4-2-7-16(14,18)12-17/h13-15H,2-11,18H2,1H3
InChIKeyJQSSLKFFHCWNSU-UHFFFAOYSA-N
XLogP1.57
TPSA56.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

1-amino-2-[2-(2,4-dimethylpiperazin-1-yl)ethyl]cyclopentane-1-carbonitrile
CID 114087352
1-[2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethyl]cyclobutan-1-amine
CID 79943724
1-amino-2-[2-(2-ethyl-5-methylpyrrolidin-1-yl)ethyl]cyclopentane-1-carbonitrile
CID 83221508
2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanol
CID 115824235
3-methyl-2-(2-piperidin-2-ylethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79938047
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
3-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]bicyclo[2.2.1]heptan-2-amine
CID 79943398
2-amino-2-ethyl-5-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pentanenitrile
CID 106803860
2-(2-cyclopentyloxyethyl)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79939800
N-[2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethyl]cyclopentanamine
CID 79944036
2-[[1-(bromomethyl)cyclopropyl]methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79943596

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-[2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethyl]cyclopentane-1-carbonitrile?
The IUPAC name of 1-amino-2-[2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethyl]cyclopentane-1-carbonitrile (CID 79943776) is 1-amino-2-[2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethyl]cyclopentane-1-carbonitrile.
What is the SMILES notation for 1-amino-2-[2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethyl]cyclopentane-1-carbonitrile?
The canonical SMILES for 1-amino-2-[2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethyl]cyclopentane-1-carbonitrile is CC1CN2CCCC2CN1CCC1CCCC1(N)C#N.
What is the InChIKey of 1-amino-2-[2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethyl]cyclopentane-1-carbonitrile?
The InChIKey is JQSSLKFFHCWNSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-13-10-20-8-3-5-15(20)11-19(13)9-6-14-4-2-7-16(14,18)12-17/h13-15H,2-11,18H2,1H3.
What are the key properties of 1-amino-2-[2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethyl]cyclopentane-1-carbonitrile?
1-amino-2-[2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethyl]cyclopentane-1-carbonitrile has a molecular weight of 276.43 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-[2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethyl]cyclopentane-1-carbonitrile is sourced from PubChem (CID 79943776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).