3-methyl-6-methylidene-3-pyrrolidin-1-yloctan-4-amine

C14H28N2 — CID 79069266

IUPAC3-methyl-6-methylidene-3-pyrrolidin-1-yloctan-4-amine
SMILESC=C(CC)CC(N)C(C)(CC)N1CCCC1
InChIInChI=1S/C14H28N2/c1-5-12(3)11-13(15)14(4,6-2)16-9-7-8-10-16/h13H,3,5-11,15H2,1-2,4H3
InChIKeyGWQWQDHREXRQMU-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.93
Rot. Bonds6

About 3-methyl-6-methylidene-3-pyrrolidin-1-yloctan-4-amine

3-methyl-6-methylidene-3-pyrrolidin-1-yloctan-4-amine (PubChem CID 79069266) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is 3-methyl-6-methylidene-3-pyrrolidin-1-yloctan-4-amine.

Molecular Properties

Compound Name3-methyl-6-methylidene-3-pyrrolidin-1-yloctan-4-amine
PubChem CID79069266
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name3-methyl-6-methylidene-3-pyrrolidin-1-yloctan-4-amine
SMILESC=C(CC)CC(N)C(C)(CC)N1CCCC1
InChIInChI=1S/C14H28N2/c1-5-12(3)11-13(15)14(4,6-2)16-9-7-8-10-16/h13H,3,5-11,15H2,1-2,4H3
InChIKeyGWQWQDHREXRQMU-UHFFFAOYSA-N
XLogP2.93
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-methylidene-3-pyrrolidin-1-yloctan-4-amine?
The IUPAC name of 3-methyl-6-methylidene-3-pyrrolidin-1-yloctan-4-amine (CID 79069266) is 3-methyl-6-methylidene-3-pyrrolidin-1-yloctan-4-amine.
What is the SMILES notation for 3-methyl-6-methylidene-3-pyrrolidin-1-yloctan-4-amine?
The canonical SMILES for 3-methyl-6-methylidene-3-pyrrolidin-1-yloctan-4-amine is C=C(CC)CC(N)C(C)(CC)N1CCCC1.
What is the InChIKey of 3-methyl-6-methylidene-3-pyrrolidin-1-yloctan-4-amine?
The InChIKey is GWQWQDHREXRQMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-5-12(3)11-13(15)14(4,6-2)16-9-7-8-10-16/h13H,3,5-11,15H2,1-2,4H3.
What are the key properties of 3-methyl-6-methylidene-3-pyrrolidin-1-yloctan-4-amine?
3-methyl-6-methylidene-3-pyrrolidin-1-yloctan-4-amine has a molecular weight of 224.39 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-methylidene-3-pyrrolidin-1-yloctan-4-amine is sourced from PubChem (CID 79069266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).