4-(pyrrolidin-1-ylmethyl)bicyclo[2.2.2]octan-1-amine

C13H24N2 — CID 139592835

IUPAC4-(pyrrolidin-1-ylmethyl)bicyclo[2.2.2]octan-1-amine
SMILESNC12CCC(CN3CCCC3)(CC1)CC2
InChIInChI=1S/C13H24N2/c14-13-6-3-12(4-7-13,5-8-13)11-15-9-1-2-10-15/h1-11,14H2
InChIKeyUMQHIJZERIDFQI-UHFFFAOYSA-N
MW208.35 g/mol
LogP2.13
Rot. Bonds2

About 4-(pyrrolidin-1-ylmethyl)bicyclo[2.2.2]octan-1-amine

4-(pyrrolidin-1-ylmethyl)bicyclo[2.2.2]octan-1-amine (PubChem CID 139592835) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is 4-(pyrrolidin-1-ylmethyl)bicyclo[2.2.2]octan-1-amine.

Molecular Properties

Compound Name4-(pyrrolidin-1-ylmethyl)bicyclo[2.2.2]octan-1-amine
PubChem CID139592835
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name4-(pyrrolidin-1-ylmethyl)bicyclo[2.2.2]octan-1-amine
SMILESNC12CCC(CN3CCCC3)(CC1)CC2
InChIInChI=1S/C13H24N2/c14-13-6-3-12(4-7-13,5-8-13)11-15-9-1-2-10-15/h1-11,14H2
InChIKeyUMQHIJZERIDFQI-UHFFFAOYSA-N
XLogP2.13
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(pyrrolidin-1-ylmethyl)bicyclo[2.2.2]octan-1-amine?
The IUPAC name of 4-(pyrrolidin-1-ylmethyl)bicyclo[2.2.2]octan-1-amine (CID 139592835) is 4-(pyrrolidin-1-ylmethyl)bicyclo[2.2.2]octan-1-amine.
What is the SMILES notation for 4-(pyrrolidin-1-ylmethyl)bicyclo[2.2.2]octan-1-amine?
The canonical SMILES for 4-(pyrrolidin-1-ylmethyl)bicyclo[2.2.2]octan-1-amine is NC12CCC(CN3CCCC3)(CC1)CC2.
What is the InChIKey of 4-(pyrrolidin-1-ylmethyl)bicyclo[2.2.2]octan-1-amine?
The InChIKey is UMQHIJZERIDFQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2/c14-13-6-3-12(4-7-13,5-8-13)11-15-9-1-2-10-15/h1-11,14H2.
What are the key properties of 4-(pyrrolidin-1-ylmethyl)bicyclo[2.2.2]octan-1-amine?
4-(pyrrolidin-1-ylmethyl)bicyclo[2.2.2]octan-1-amine has a molecular weight of 208.35 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(pyrrolidin-1-ylmethyl)bicyclo[2.2.2]octan-1-amine is sourced from PubChem (CID 139592835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).