5-methyl-1-propyl-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridine

C11H22N2 — CID 130650368

IUPAC5-methyl-1-propyl-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridine
SMILESCCCN1CCC2CN(C)CCC21
InChIInChI=1S/C11H22N2/c1-3-6-13-8-4-10-9-12(2)7-5-11(10)13/h10-11H,3-9H2,1-2H3
InChIKeyFADWEXUSWGZTSH-UHFFFAOYSA-N
MW182.31 g/mol
LogP1.42
Rot. Bonds2

About 5-methyl-1-propyl-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridine

5-methyl-1-propyl-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridine (PubChem CID 130650368) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 5-methyl-1-propyl-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridine.

Molecular Properties

Compound Name5-methyl-1-propyl-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridine
PubChem CID130650368
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name5-methyl-1-propyl-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridine
SMILESCCCN1CCC2CN(C)CCC21
InChIInChI=1S/C11H22N2/c1-3-6-13-8-4-10-9-12(2)7-5-11(10)13/h10-11H,3-9H2,1-2H3
InChIKeyFADWEXUSWGZTSH-UHFFFAOYSA-N
XLogP1.42
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(cyclopropylmethyl)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[3,4-b]pyrrole
CID 131208887
9-propyl-9-azabicyclo[6.2.0]decane
CID 126990839
(1S,6R)-2-propyl-2-azabicyclo[4.1.0]heptane
CID 130645060
ethane;1-methyl-4-(1-propylpiperidin-4-yl)piperidine
CID 156885500
4-fluoro-1-methyl-2-(1-methylpyrrolidin-3-yl)pyrrolidine
CID 138569410
(3aS,7aR)-1,6-dimethyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine
CID 148741142
2-methyl-1,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[c]pyridine
CID 130417829
4-methyl-1-propylpiperazin-2-amine
CID 70503561
(2S,3R)-2-methyl-1-propylpyrrolidin-3-ol
CID 130813850
1,5-diethyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole
CID 89161720
4-propyl-1,4-diazabicyclo[3.1.0]hexane
CID 89356558
(3R)-1-methyl-3-[(2S)-oxiran-2-yl]pyrrolidine
CID 124858887

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-propyl-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridine?
The IUPAC name of 5-methyl-1-propyl-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridine (CID 130650368) is 5-methyl-1-propyl-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridine.
What is the SMILES notation for 5-methyl-1-propyl-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridine?
The canonical SMILES for 5-methyl-1-propyl-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridine is CCCN1CCC2CN(C)CCC21.
What is the InChIKey of 5-methyl-1-propyl-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridine?
The InChIKey is FADWEXUSWGZTSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-3-6-13-8-4-10-9-12(2)7-5-11(10)13/h10-11H,3-9H2,1-2H3.
What are the key properties of 5-methyl-1-propyl-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridine?
5-methyl-1-propyl-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridine has a molecular weight of 182.31 g/mol, XLogP of 1.42, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-propyl-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridine is sourced from PubChem (CID 130650368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).