1-[(4-methylpyrrolidin-3-yl)methyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine

C14H26N2 — CID 65319770

IUPAC1-[(4-methylpyrrolidin-3-yl)methyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine
SMILESCC1CNCC1CN1CCCC2CCCC21
InChIInChI=1S/C14H26N2/c1-11-8-15-9-13(11)10-16-7-3-5-12-4-2-6-14(12)16/h11-15H,2-10H2,1H3
InChIKeyMMMVVORZNAAQQD-UHFFFAOYSA-N
MW222.38 g/mol
LogP2.11
Rot. Bonds2

About 1-[(4-methylpyrrolidin-3-yl)methyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine

1-[(4-methylpyrrolidin-3-yl)methyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine (PubChem CID 65319770) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is 1-[(4-methylpyrrolidin-3-yl)methyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine.

Molecular Properties

Compound Name1-[(4-methylpyrrolidin-3-yl)methyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine
PubChem CID65319770
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC Name1-[(4-methylpyrrolidin-3-yl)methyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine
SMILESCC1CNCC1CN1CCCC2CCCC21
InChIInChI=1S/C14H26N2/c1-11-8-15-9-13(11)10-16-7-3-5-12-4-2-6-14(12)16/h11-15H,2-10H2,1H3
InChIKeyMMMVVORZNAAQQD-UHFFFAOYSA-N
XLogP2.11
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[(4-methylpyrrolidin-3-yl)methyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine with MolForge

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Related Compounds

1-[2-(azetidin-3-yl)propyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine
CID 116680176
1-methyl-6-[(4-methylpyrrolidin-3-yl)methyl]-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine
CID 81199895
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylmethyl)cycloheptan-1-ol
CID 65324416
2-[(2-cyclopentylpyrrolidin-1-yl)methyl]-N-propylcyclopentan-1-amine
CID 62611367
2-[(2-cyclopentylpyrrolidin-1-yl)methyl]-4-methylcyclohexan-1-amine
CID 62611368
1-[(4-methylpyrrolidin-3-yl)methyl]azepane
CID 63715689
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylmethyl)-4-propylcyclohexan-1-ol
CID 65324367
1-[[(2S)-pyrrolidin-2-yl]methyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine
CID 104870161
1-(3-methylpiperidin-4-yl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine
CID 65320963
4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-methylbutan-2-ol
CID 79361995
1-[(4-methoxypyrrolidin-3-yl)methyl]-2-methylpyrrolidine
CID 164648979
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-N-methylethanamine
CID 65320984

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylpyrrolidin-3-yl)methyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine?
The IUPAC name of 1-[(4-methylpyrrolidin-3-yl)methyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine (CID 65319770) is 1-[(4-methylpyrrolidin-3-yl)methyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine.
What is the SMILES notation for 1-[(4-methylpyrrolidin-3-yl)methyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine?
The canonical SMILES for 1-[(4-methylpyrrolidin-3-yl)methyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine is CC1CNCC1CN1CCCC2CCCC21.
What is the InChIKey of 1-[(4-methylpyrrolidin-3-yl)methyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine?
The InChIKey is MMMVVORZNAAQQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2/c1-11-8-15-9-13(11)10-16-7-3-5-12-4-2-6-14(12)16/h11-15H,2-10H2,1H3.
What are the key properties of 1-[(4-methylpyrrolidin-3-yl)methyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine?
1-[(4-methylpyrrolidin-3-yl)methyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine has a molecular weight of 222.38 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylpyrrolidin-3-yl)methyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine is sourced from PubChem (CID 65319770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).