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

C9H19N3 — CID 82412641

IUPAC(2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-8-yl)methanamine
SMILESCN1CCN2CCC(CN)C2C1
InChIInChI=1S/C9H19N3/c1-11-4-5-12-3-2-8(6-10)9(12)7-11/h8-9H,2-7,10H2,1H3
InChIKeyQSWPQGYMFUGNIY-UHFFFAOYSA-N
MW169.27 g/mol
LogP-0.42
Rot. Bonds1

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

(2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-8-yl)methanamine (PubChem CID 82412641) has the molecular formula C9H19N3 and a molecular weight of 169.27 g/mol. Its IUPAC name is (2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-8-yl)methanamine.

Molecular Properties

Compound Name(2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-8-yl)methanamine
PubChem CID82412641
Molecular FormulaC9H19N3
Molecular Weight169.27 g/mol
Exact Mass169.16
IUPAC Name(2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-8-yl)methanamine
SMILESCN1CCN2CCC(CN)C2C1
InChIInChI=1S/C9H19N3/c1-11-4-5-12-3-2-8(6-10)9(12)7-11/h8-9H,2-7,10H2,1H3
InChIKeyQSWPQGYMFUGNIY-UHFFFAOYSA-N
XLogP-0.42
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 5-0.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(4-methyl-1,4-diazepan-1-yl)cyclopentyl]methanamine
CID 43293580
[(1R,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methanamine
CID 129361363
(1,3-dimethylpiperidin-4-yl)methanamine
CID 55285263
(1-methyl-3-propylpiperidin-4-yl)methanamine
CID 84765836
[2-(4-propan-2-ylpiperidin-1-yl)cyclobutyl]methanamine
CID 103503245
1-[2-(aminomethyl)cyclobutyl]-N,N-dimethylpiperidin-4-amine
CID 80999986
[2-(4-methylpiperidin-1-yl)cyclopentyl]methanamine
CID 43293313
(1,5-dimethylazepan-4-yl)methanamine
CID 84763759
[2-(3-methoxypyrrolidin-1-yl)cyclobutyl]methanamine
CID 103539662
[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]methanamine
CID 43373551
[2-(4-tert-butylpiperazin-1-yl)-4-ethylcyclohexyl]methanamine
CID 61430009
[2-[4-(cyclopropylmethyl)piperazin-1-yl]-4-ethylcyclohexyl]methanamine
CID 61440702

Frequently Asked Questions

What is the IUPAC name of (2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-8-yl)methanamine?
The IUPAC name of (2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-8-yl)methanamine (CID 82412641) is (2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-8-yl)methanamine.
What is the SMILES notation for (2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-8-yl)methanamine?
The canonical SMILES for (2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-8-yl)methanamine is CN1CCN2CCC(CN)C2C1.
What is the InChIKey of (2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-8-yl)methanamine?
The InChIKey is QSWPQGYMFUGNIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3/c1-11-4-5-12-3-2-8(6-10)9(12)7-11/h8-9H,2-7,10H2,1H3.
What are the key properties of (2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-8-yl)methanamine?
(2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-8-yl)methanamine has a molecular weight of 169.27 g/mol, XLogP of -0.42, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-8-yl)methanamine is sourced from PubChem (CID 82412641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).