1-[(2-methylpyrrolidin-3-yl)methyl]azocane

C13H26N2 — CID 79385329

IUPAC1-[(2-methylpyrrolidin-3-yl)methyl]azocane
SMILESCC1NCCC1CN1CCCCCCC1
InChIInChI=1S/C13H26N2/c1-12-13(7-8-14-12)11-15-9-5-3-2-4-6-10-15/h12-14H,2-11H2,1H3
InChIKeyKZHXEGTWZPBYNR-UHFFFAOYSA-N
MW210.36 g/mol
LogP2.25
Rot. Bonds2

About 1-[(2-methylpyrrolidin-3-yl)methyl]azocane

1-[(2-methylpyrrolidin-3-yl)methyl]azocane (PubChem CID 79385329) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is 1-[(2-methylpyrrolidin-3-yl)methyl]azocane.

Molecular Properties

Compound Name1-[(2-methylpyrrolidin-3-yl)methyl]azocane
PubChem CID79385329
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC Name1-[(2-methylpyrrolidin-3-yl)methyl]azocane
SMILESCC1NCCC1CN1CCCCCCC1
InChIInChI=1S/C13H26N2/c1-12-13(7-8-14-12)11-15-9-5-3-2-4-6-10-15/h12-14H,2-11H2,1H3
InChIKeyKZHXEGTWZPBYNR-UHFFFAOYSA-N
XLogP2.25
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylpyrrolidin-3-yl)methyl]azocane?
The IUPAC name of 1-[(2-methylpyrrolidin-3-yl)methyl]azocane (CID 79385329) is 1-[(2-methylpyrrolidin-3-yl)methyl]azocane.
What is the SMILES notation for 1-[(2-methylpyrrolidin-3-yl)methyl]azocane?
The canonical SMILES for 1-[(2-methylpyrrolidin-3-yl)methyl]azocane is CC1NCCC1CN1CCCCCCC1.
What is the InChIKey of 1-[(2-methylpyrrolidin-3-yl)methyl]azocane?
The InChIKey is KZHXEGTWZPBYNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-12-13(7-8-14-12)11-15-9-5-3-2-4-6-10-15/h12-14H,2-11H2,1H3.
What are the key properties of 1-[(2-methylpyrrolidin-3-yl)methyl]azocane?
1-[(2-methylpyrrolidin-3-yl)methyl]azocane has a molecular weight of 210.36 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylpyrrolidin-3-yl)methyl]azocane is sourced from PubChem (CID 79385329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).