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

C17H33N3 — CID 79937858

IUPACN,2,2-trimethyl-6-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)cyclohexan-1-amine
SMILESCNC1C(N2CC3CCCN3CC2C)CCCC1(C)C
InChIInChI=1S/C17H33N3/c1-13-11-19-10-6-7-14(19)12-20(13)15-8-5-9-17(2,3)16(15)18-4/h13-16,18H,5-12H2,1-4H3
InChIKeyXLPSHQDDKYMXCT-UHFFFAOYSA-N
MW279.47 g/mol
LogP2.32
Rot. Bonds2

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

N,2,2-trimethyl-6-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)cyclohexan-1-amine (PubChem CID 79937858) has the molecular formula C17H33N3 and a molecular weight of 279.47 g/mol. Its IUPAC name is N,2,2-trimethyl-6-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)cyclohexan-1-amine.

Molecular Properties

Compound NameN,2,2-trimethyl-6-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)cyclohexan-1-amine
PubChem CID79937858
Molecular FormulaC17H33N3
Molecular Weight279.47 g/mol
Exact Mass279.27
IUPAC NameN,2,2-trimethyl-6-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)cyclohexan-1-amine
SMILESCNC1C(N2CC3CCCN3CC2C)CCCC1(C)C
InChIInChI=1S/C17H33N3/c1-13-11-19-10-6-7-14(19)12-20(13)15-8-5-9-17(2,3)16(15)18-4/h13-16,18H,5-12H2,1-4H3
InChIKeyXLPSHQDDKYMXCT-UHFFFAOYSA-N
XLogP2.32
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N,2,2-trimethyl-6-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)cyclohexan-1-amine with MolForge

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Related Compounds

N-methyl-2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)cyclohexan-1-amine
CID 79930958
2-(2,2-dimethylcyclohexyl)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79944940
N,2,2-trimethyl-6-(2-methylazepan-1-yl)cyclohexan-1-amine
CID 79829283
3-methyl-2-(2-methylcyclopropyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79939100
6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2,2-dimethyl-N-propylcyclohexan-1-amine
CID 79927085
2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)cyclohexan-1-ol
CID 115824897
2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)cyclopentane-1-carbonitrile
CID 79938282
trans-(1R,2R)-2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)cyclopentan-1-ol
CID 102734859
3-methyl-2-(4-methylpyrrolidin-3-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 81460124
N,2,2-trimethyl-5-[3-(trifluoromethyl)piperidin-1-yl]cyclopentan-1-amine
CID 79860087
N-ethyl-2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)cyclopentan-1-amine
CID 79930957
1-[3,3-dimethyl-2-(methylamino)cyclohexyl]-N,N-diethylpyrrolidin-3-amine
CID 79828376

Frequently Asked Questions

What is the IUPAC name of N,2,2-trimethyl-6-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)cyclohexan-1-amine?
The IUPAC name of N,2,2-trimethyl-6-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)cyclohexan-1-amine (CID 79937858) is N,2,2-trimethyl-6-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)cyclohexan-1-amine.
What is the SMILES notation for N,2,2-trimethyl-6-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)cyclohexan-1-amine?
The canonical SMILES for N,2,2-trimethyl-6-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)cyclohexan-1-amine is CNC1C(N2CC3CCCN3CC2C)CCCC1(C)C.
What is the InChIKey of N,2,2-trimethyl-6-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)cyclohexan-1-amine?
The InChIKey is XLPSHQDDKYMXCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3/c1-13-11-19-10-6-7-14(19)12-20(13)15-8-5-9-17(2,3)16(15)18-4/h13-16,18H,5-12H2,1-4H3.
What are the key properties of N,2,2-trimethyl-6-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)cyclohexan-1-amine?
N,2,2-trimethyl-6-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)cyclohexan-1-amine has a molecular weight of 279.47 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-trimethyl-6-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)cyclohexan-1-amine is sourced from PubChem (CID 79937858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).