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

C15H29N3 — CID 79941371

IUPAC[1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-methylcyclohexyl]methanamine
SMILESCC1CCCC(CN)(N2CCN3CCCC3C2)C1
InChIInChI=1S/C15H29N3/c1-13-4-2-6-15(10-13,12-16)18-9-8-17-7-3-5-14(17)11-18/h13-14H,2-12,16H2,1H3
InChIKeyAYUXKKUNZOVEJJ-UHFFFAOYSA-N
MW251.42 g/mol
LogP1.67
Rot. Bonds2

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

[1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-methylcyclohexyl]methanamine (PubChem CID 79941371) has the molecular formula C15H29N3 and a molecular weight of 251.42 g/mol. Its IUPAC name is [1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-methylcyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-methylcyclohexyl]methanamine
PubChem CID79941371
Molecular FormulaC15H29N3
Molecular Weight251.42 g/mol
Exact Mass251.24
IUPAC Name[1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-methylcyclohexyl]methanamine
SMILESCC1CCCC(CN)(N2CCN3CCCC3C2)C1
InChIInChI=1S/C15H29N3/c1-13-4-2-6-15(10-13,12-16)18-9-8-17-7-3-5-14(17)11-18/h13-14H,2-12,16H2,1H3
InChIKeyAYUXKKUNZOVEJJ-UHFFFAOYSA-N
XLogP1.67
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.42
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-4-methylcycloheptyl]methanamine
CID 79932335
[1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)cyclooctyl]methanamine
CID 79937680
[1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)cyclopropyl]methanamine
CID 106661320
[1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-4-methylcyclohexyl]methanamine
CID 79932333
(3-methyl-1-pyrrolidin-1-ylcyclohexyl)methanamine
CID 24695310
[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-propan-2-yloxan-4-yl]methanamine
CID 79938560
[4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1-methylpiperidin-4-yl]methanamine
CID 79932682
1-[1-(aminomethyl)-3-methylcyclohexyl]-N,N-dimethylpyrrolidin-3-amine
CID 63166157
[1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-3,3-dimethylcyclohexyl]methanamine
CID 79932848
[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-propyloxan-4-yl]methanamine
CID 79938479
[3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-5-methylthiolan-3-yl]methanamine
CID 79950119
[3-methyl-1-(4-methyl-1,4-diazepan-1-yl)cyclohexyl]methanamine
CID 43209340

Frequently Asked Questions

What is the IUPAC name of [1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-methylcyclohexyl]methanamine?
The IUPAC name of [1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-methylcyclohexyl]methanamine (CID 79941371) is [1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-methylcyclohexyl]methanamine.
What is the SMILES notation for [1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-methylcyclohexyl]methanamine?
The canonical SMILES for [1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-methylcyclohexyl]methanamine is CC1CCCC(CN)(N2CCN3CCCC3C2)C1.
What is the InChIKey of [1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-methylcyclohexyl]methanamine?
The InChIKey is AYUXKKUNZOVEJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3/c1-13-4-2-6-15(10-13,12-16)18-9-8-17-7-3-5-14(17)11-18/h13-14H,2-12,16H2,1H3.
What are the key properties of [1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-methylcyclohexyl]methanamine?
[1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-methylcyclohexyl]methanamine has a molecular weight of 251.42 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-methylcyclohexyl]methanamine is sourced from PubChem (CID 79941371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).