2-[(3-methylcyclobutyl)methyl]-7-propoxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine

C16H30N2O — CID 167572525

IUPAC2-[(3-methylcyclobutyl)methyl]-7-propoxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
SMILESCCCOC1CC2CN(CC3CC(C)C3)CCN2C1
InChIInChI=1S/C16H30N2O/c1-3-6-19-16-9-15-11-17(4-5-18(15)12-16)10-14-7-13(2)8-14/h13-16H,3-12H2,1-2H3
InChIKeyPJZXNMGQXSACQM-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.22
Rot. Bonds5

About 2-[(3-methylcyclobutyl)methyl]-7-propoxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine

2-[(3-methylcyclobutyl)methyl]-7-propoxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine (PubChem CID 167572525) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is 2-[(3-methylcyclobutyl)methyl]-7-propoxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine.

Molecular Properties

Compound Name2-[(3-methylcyclobutyl)methyl]-7-propoxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
PubChem CID167572525
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name2-[(3-methylcyclobutyl)methyl]-7-propoxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
SMILESCCCOC1CC2CN(CC3CC(C)C3)CCN2C1
InChIInChI=1S/C16H30N2O/c1-3-6-19-16-9-15-11-17(4-5-18(15)12-16)10-14-7-13(2)8-14/h13-16H,3-12H2,1-2H3
InChIKeyPJZXNMGQXSACQM-UHFFFAOYSA-N
XLogP2.22
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-7-methoxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 142312917
1-[(2-methylpiperidin-4-yl)methyl]-3-propoxypiperidine
CID 106740986
3-(3-propoxypiperidin-1-yl)cyclopentan-1-amine
CID 79469566
3-(3-propoxypiperidin-1-yl)cyclohexan-1-amine
CID 79469432
4-(3-propoxypiperidin-1-yl)cyclohexan-1-amine
CID 62806391
(7S,8aS)-7-(cyclopropylmethoxy)-2-ethylsulfonyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 124895360
4-[(3-propoxypiperidin-1-yl)methyl]cyclohexan-1-amine
CID 54990160
(7R,8aS)-7-(cyclopropylmethoxy)-2-ethylsulfonyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 124895359
(7R,8aS)-7-(2-methoxyethoxy)-2-[(1-methylpyrazol-4-yl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 97386228
(7R,8aS)-7-(2-methoxyethoxy)-2-(pyridin-2-ylmethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 97458306
4-methyl-2-[(3-propoxypiperidin-1-yl)methyl]cyclohexan-1-ol
CID 55094581
1-[(3-methylcyclobutyl)methyl]piperidine
CID 120999950

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methylcyclobutyl)methyl]-7-propoxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The IUPAC name of 2-[(3-methylcyclobutyl)methyl]-7-propoxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine (CID 167572525) is 2-[(3-methylcyclobutyl)methyl]-7-propoxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine.
What is the SMILES notation for 2-[(3-methylcyclobutyl)methyl]-7-propoxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The canonical SMILES for 2-[(3-methylcyclobutyl)methyl]-7-propoxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine is CCCOC1CC2CN(CC3CC(C)C3)CCN2C1.
What is the InChIKey of 2-[(3-methylcyclobutyl)methyl]-7-propoxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The InChIKey is PJZXNMGQXSACQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-3-6-19-16-9-15-11-17(4-5-18(15)12-16)10-14-7-13(2)8-14/h13-16H,3-12H2,1-2H3.
What are the key properties of 2-[(3-methylcyclobutyl)methyl]-7-propoxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
2-[(3-methylcyclobutyl)methyl]-7-propoxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine has a molecular weight of 266.43 g/mol, XLogP of 2.22, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methylcyclobutyl)methyl]-7-propoxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine is sourced from PubChem (CID 167572525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).