1-[3-(2-methylpiperidin-1-yl)propyl]pyrrolidin-2-imine

C13H25N3 — CID 43121926

IUPAC1-[3-(2-methylpiperidin-1-yl)propyl]pyrrolidin-2-imine
SMILES[H]/N=C1\CCCN1CCCN1CCCCC1C
InChIInChI=1S/C13H25N3/c1-12-6-2-3-8-15(12)10-5-11-16-9-4-7-13(16)14/h12,14H,2-11H2,1H3/b14-13+
InChIKeyLAFVHLIDNZQCOY-BUHFOSPRSA-N
MW223.36 g/mol
LogP2.32
Rot. Bonds4

About 1-[3-(2-methylpiperidin-1-yl)propyl]pyrrolidin-2-imine

1-[3-(2-methylpiperidin-1-yl)propyl]pyrrolidin-2-imine (PubChem CID 43121926) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is 1-[3-(2-methylpiperidin-1-yl)propyl]pyrrolidin-2-imine.

Molecular Properties

Compound Name1-[3-(2-methylpiperidin-1-yl)propyl]pyrrolidin-2-imine
PubChem CID43121926
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Name1-[3-(2-methylpiperidin-1-yl)propyl]pyrrolidin-2-imine
SMILES[H]/N=C1\CCCN1CCCN1CCCCC1C
InChIInChI=1S/C13H25N3/c1-12-6-2-3-8-15(12)10-5-11-16-9-4-7-13(16)14/h12,14H,2-11H2,1H3/b14-13+
InChIKeyLAFVHLIDNZQCOY-BUHFOSPRSA-N
XLogP2.32
TPSA30.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-methylpiperidin-1-yl)propyl]pyrrolidin-2-imine?
The IUPAC name of 1-[3-(2-methylpiperidin-1-yl)propyl]pyrrolidin-2-imine (CID 43121926) is 1-[3-(2-methylpiperidin-1-yl)propyl]pyrrolidin-2-imine.
What is the SMILES notation for 1-[3-(2-methylpiperidin-1-yl)propyl]pyrrolidin-2-imine?
The canonical SMILES for 1-[3-(2-methylpiperidin-1-yl)propyl]pyrrolidin-2-imine is [H]/N=C1\CCCN1CCCN1CCCCC1C.
What is the InChIKey of 1-[3-(2-methylpiperidin-1-yl)propyl]pyrrolidin-2-imine?
The InChIKey is LAFVHLIDNZQCOY-BUHFOSPRSA-N. The full InChI is InChI=1S/C13H25N3/c1-12-6-2-3-8-15(12)10-5-11-16-9-4-7-13(16)14/h12,14H,2-11H2,1H3/b14-13+.
What are the key properties of 1-[3-(2-methylpiperidin-1-yl)propyl]pyrrolidin-2-imine?
1-[3-(2-methylpiperidin-1-yl)propyl]pyrrolidin-2-imine has a molecular weight of 223.36 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-methylpiperidin-1-yl)propyl]pyrrolidin-2-imine is sourced from PubChem (CID 43121926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).