[3-(azocan-1-yl)-1-methylpyrrolidin-3-yl]methanamine

C13H27N3 — CID 62976375

IUPAC[3-(azocan-1-yl)-1-methylpyrrolidin-3-yl]methanamine
SMILESCN1CCC(CN)(N2CCCCCCC2)C1
InChIInChI=1S/C13H27N3/c1-15-10-7-13(11-14,12-15)16-8-5-3-2-4-6-9-16/h2-12,14H2,1H3
InChIKeyRMWXCQAAECVQPE-UHFFFAOYSA-N
MW225.38 g/mol
LogP1.29
Rot. Bonds2

About [3-(azocan-1-yl)-1-methylpyrrolidin-3-yl]methanamine

[3-(azocan-1-yl)-1-methylpyrrolidin-3-yl]methanamine (PubChem CID 62976375) has the molecular formula C13H27N3 and a molecular weight of 225.38 g/mol. Its IUPAC name is [3-(azocan-1-yl)-1-methylpyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[3-(azocan-1-yl)-1-methylpyrrolidin-3-yl]methanamine
PubChem CID62976375
Molecular FormulaC13H27N3
Molecular Weight225.38 g/mol
Exact Mass225.22
IUPAC Name[3-(azocan-1-yl)-1-methylpyrrolidin-3-yl]methanamine
SMILESCN1CCC(CN)(N2CCCCCCC2)C1
InChIInChI=1S/C13H27N3/c1-15-10-7-13(11-14,12-15)16-8-5-3-2-4-6-9-16/h2-12,14H2,1H3
InChIKeyRMWXCQAAECVQPE-UHFFFAOYSA-N
XLogP1.29
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(azocan-1-yl)-1-methylpyrrolidin-3-yl]methanamine?
The IUPAC name of [3-(azocan-1-yl)-1-methylpyrrolidin-3-yl]methanamine (CID 62976375) is [3-(azocan-1-yl)-1-methylpyrrolidin-3-yl]methanamine.
What is the SMILES notation for [3-(azocan-1-yl)-1-methylpyrrolidin-3-yl]methanamine?
The canonical SMILES for [3-(azocan-1-yl)-1-methylpyrrolidin-3-yl]methanamine is CN1CCC(CN)(N2CCCCCCC2)C1.
What is the InChIKey of [3-(azocan-1-yl)-1-methylpyrrolidin-3-yl]methanamine?
The InChIKey is RMWXCQAAECVQPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3/c1-15-10-7-13(11-14,12-15)16-8-5-3-2-4-6-9-16/h2-12,14H2,1H3.
What are the key properties of [3-(azocan-1-yl)-1-methylpyrrolidin-3-yl]methanamine?
[3-(azocan-1-yl)-1-methylpyrrolidin-3-yl]methanamine has a molecular weight of 225.38 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(azocan-1-yl)-1-methylpyrrolidin-3-yl]methanamine is sourced from PubChem (CID 62976375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).