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

C18H35N3 — CID 79927666

IUPAC[2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-propylcyclohexyl]methanamine
SMILESCCCC1CCC(CN)C(N2CC3CCCN3CC2C)C1
InChIInChI=1S/C18H35N3/c1-3-5-15-7-8-16(11-19)18(10-15)21-13-17-6-4-9-20(17)12-14(21)2/h14-18H,3-13,19H2,1-2H3
InChIKeyWDLQRKTZRXDKHP-UHFFFAOYSA-N
MW293.50 g/mol
LogP2.70
Rot. Bonds4

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

[2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-propylcyclohexyl]methanamine (PubChem CID 79927666) has the molecular formula C18H35N3 and a molecular weight of 293.50 g/mol. Its IUPAC name is [2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-propylcyclohexyl]methanamine.

Molecular Properties

Compound Name[2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-propylcyclohexyl]methanamine
PubChem CID79927666
Molecular FormulaC18H35N3
Molecular Weight293.50 g/mol
Exact Mass293.28
IUPAC Name[2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-propylcyclohexyl]methanamine
SMILESCCCC1CCC(CN)C(N2CC3CCCN3CC2C)C1
InChIInChI=1S/C18H35N3/c1-3-5-15-7-8-16(11-19)18(10-15)21-13-17-6-4-9-20(17)12-14(21)2/h14-18H,3-13,19H2,1-2H3
InChIKeyWDLQRKTZRXDKHP-UHFFFAOYSA-N
XLogP2.70
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.50
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

[2-(4-ethyl-3-methylpiperazin-1-yl)-4-propylcyclohexyl]methanamine
CID 63603329
[2-(2,4-dimethylpiperidin-1-yl)-4-propylcyclohexyl]methanamine
CID 62330648
[2-(2-methyl-1,4-oxazepan-4-yl)-4-propylcyclohexyl]methanamine
CID 62987758
3-methyl-2-(2-methylcyclopropyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79939100
4-ethyl-2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)cyclohexane-1-carboxylic acid
CID 79935356
[2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-4-propylcyclohexyl]methanamine
CID 62886963
(4-propyl-2-thiomorpholin-4-ylcyclohexyl)methanamine
CID 43530816
3-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)cyclobutan-1-amine
CID 80561807
4-ethyl-N-methyl-2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)cyclohexan-1-amine
CID 79920835
[2-(5-ethyl-2-methylmorpholin-4-yl)-4-propylcyclohexyl]methanamine
CID 43575808
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-propylcyclohexane-1-carboxylic acid
CID 79935193
[4-ethyl-2-(2-methylpiperidin-1-yl)cyclohexyl]methanamine
CID 43293344

Frequently Asked Questions

What is the IUPAC name of [2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-propylcyclohexyl]methanamine?
The IUPAC name of [2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-propylcyclohexyl]methanamine (CID 79927666) is [2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-propylcyclohexyl]methanamine.
What is the SMILES notation for [2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-propylcyclohexyl]methanamine?
The canonical SMILES for [2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-propylcyclohexyl]methanamine is CCCC1CCC(CN)C(N2CC3CCCN3CC2C)C1.
What is the InChIKey of [2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-propylcyclohexyl]methanamine?
The InChIKey is WDLQRKTZRXDKHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3/c1-3-5-15-7-8-16(11-19)18(10-15)21-13-17-6-4-9-20(17)12-14(21)2/h14-18H,3-13,19H2,1-2H3.
What are the key properties of [2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-propylcyclohexyl]methanamine?
[2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-propylcyclohexyl]methanamine has a molecular weight of 293.50 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-propylcyclohexyl]methanamine is sourced from PubChem (CID 79927666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).