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

C17H35N3 — CID 79943327

IUPAC6-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-propan-2-ylhexan-1-amine
SMILESCC(C)C(CCN)CCCN1CC2CCCN2CC1C
InChIInChI=1S/C17H35N3/c1-14(2)16(8-9-18)6-4-10-19-13-17-7-5-11-20(17)12-15(19)3/h14-17H,4-13,18H2,1-3H3
InChIKeySMMGELRLCYMVCG-UHFFFAOYSA-N
MW281.49 g/mol
LogP2.56
Rot. Bonds7

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

6-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-propan-2-ylhexan-1-amine (PubChem CID 79943327) has the molecular formula C17H35N3 and a molecular weight of 281.49 g/mol. Its IUPAC name is 6-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-propan-2-ylhexan-1-amine.

Molecular Properties

Compound Name6-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-propan-2-ylhexan-1-amine
PubChem CID79943327
Molecular FormulaC17H35N3
Molecular Weight281.49 g/mol
Exact Mass281.28
IUPAC Name6-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-propan-2-ylhexan-1-amine
SMILESCC(C)C(CCN)CCCN1CC2CCCN2CC1C
InChIInChI=1S/C17H35N3/c1-14(2)16(8-9-18)6-4-10-19-13-17-7-5-11-20(17)12-15(19)3/h14-17H,4-13,18H2,1-3H3
InChIKeySMMGELRLCYMVCG-UHFFFAOYSA-N
XLogP2.56
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.49
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

6-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)hexan-1-amine
CID 79943167
6-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-propan-2-ylhexan-1-amine
CID 79945340
2-ethyl-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 112734151
N-ethyl-6-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)hexan-3-amine
CID 106800011
2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanol
CID 115824235
4-methyl-5-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pentan-1-amine
CID 113440631
3-methyl-2-(2,3,3-trimethylbutyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 83147463
N-[3-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propyl]cyclopentanamine
CID 79945215
N-[5-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pentyl]cyclopropanamine
CID 79946044
3-methyl-2-[(1-methylpyrrolidin-3-yl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 113252406
3,3-dimethyl-4-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)butan-2-amine
CID 79945732
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

Frequently Asked Questions

What is the IUPAC name of 6-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-propan-2-ylhexan-1-amine?
The IUPAC name of 6-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-propan-2-ylhexan-1-amine (CID 79943327) is 6-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-propan-2-ylhexan-1-amine.
What is the SMILES notation for 6-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-propan-2-ylhexan-1-amine?
The canonical SMILES for 6-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-propan-2-ylhexan-1-amine is CC(C)C(CCN)CCCN1CC2CCCN2CC1C.
What is the InChIKey of 6-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-propan-2-ylhexan-1-amine?
The InChIKey is SMMGELRLCYMVCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3/c1-14(2)16(8-9-18)6-4-10-19-13-17-7-5-11-20(17)12-15(19)3/h14-17H,4-13,18H2,1-3H3.
What are the key properties of 6-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-propan-2-ylhexan-1-amine?
6-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-propan-2-ylhexan-1-amine has a molecular weight of 281.49 g/mol, XLogP of 2.56, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-propan-2-ylhexan-1-amine is sourced from PubChem (CID 79943327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).