3-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]bicyclo[2.2.1]heptan-2-amine

C16H29N3 — CID 79943398

IUPAC3-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]bicyclo[2.2.1]heptan-2-amine
SMILESCC1CN2CCCC2CN1CC1C2CCC(C2)C1N
InChIInChI=1S/C16H29N3/c1-11-8-18-6-2-3-14(18)9-19(11)10-15-12-4-5-13(7-12)16(15)17/h11-16H,2-10,17H2,1H3
InChIKeyBWKWSNZTFJFUSU-UHFFFAOYSA-N
MW263.43 g/mol
LogP1.53
Rot. Bonds2

About 3-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]bicyclo[2.2.1]heptan-2-amine

3-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]bicyclo[2.2.1]heptan-2-amine (PubChem CID 79943398) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is 3-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]bicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound Name3-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]bicyclo[2.2.1]heptan-2-amine
PubChem CID79943398
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC Name3-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]bicyclo[2.2.1]heptan-2-amine
SMILESCC1CN2CCCC2CN1CC1C2CCC(C2)C1N
InChIInChI=1S/C16H29N3/c1-11-8-18-6-2-3-14(18)9-19(11)10-15-12-4-5-13(7-12)16(15)17/h11-16H,2-10,17H2,1H3
InChIKeyBWKWSNZTFJFUSU-UHFFFAOYSA-N
XLogP1.53
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]bicyclo[2.2.1]heptan-2-amine with MolForge

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Related Compounds

2-ethyl-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 112734151
2-[(4-ethylcyclohexyl)methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79939317
3-methyl-2-[(1-methylpyrrolidin-3-yl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 113252406
2-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-ylmethyl)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79930206
[4-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]cyclohexyl]methanamine
CID 79935142
2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanol
CID 115824235
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
4-methyl-2-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]cyclohexan-1-one
CID 79945244
6-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)hexan-1-amine
CID 79943167
3-methyl-2-[(2-methylcyclopentyl)methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 107420844
1-cyclopropyl-2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanamine
CID 79938013

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]bicyclo[2.2.1]heptan-2-amine?
The IUPAC name of 3-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]bicyclo[2.2.1]heptan-2-amine (CID 79943398) is 3-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]bicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for 3-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]bicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for 3-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]bicyclo[2.2.1]heptan-2-amine is CC1CN2CCCC2CN1CC1C2CCC(C2)C1N.
What is the InChIKey of 3-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]bicyclo[2.2.1]heptan-2-amine?
The InChIKey is BWKWSNZTFJFUSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-11-8-18-6-2-3-14(18)9-19(11)10-15-12-4-5-13(7-12)16(15)17/h11-16H,2-10,17H2,1H3.
What are the key properties of 3-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]bicyclo[2.2.1]heptan-2-amine?
3-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]bicyclo[2.2.1]heptan-2-amine has a molecular weight of 263.43 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]bicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 79943398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).