3-methanimidoyl-4-methyl-N-propan-2-yl-6-pyrrolidin-1-ylpyridin-2-amine

C14H22N4 — CID 134525474

IUPAC3-methanimidoyl-4-methyl-N-propan-2-yl-6-pyrrolidin-1-ylpyridin-2-amine
SMILES[H]/N=C/c1c(C)cc(N2CCCC2)nc1NC(C)C
InChIInChI=1S/C14H22N4/c1-10(2)16-14-12(9-15)11(3)8-13(17-14)18-6-4-5-7-18/h8-10,15H,4-7H2,1-3H3,(H,16,17)/b15-9+
InChIKeyZGWRAVSCGJPBQK-OQLLNIDSSA-N
MW246.36 g/mol
LogP2.81
Rot. Bonds4

About 3-methanimidoyl-4-methyl-N-propan-2-yl-6-pyrrolidin-1-ylpyridin-2-amine

3-methanimidoyl-4-methyl-N-propan-2-yl-6-pyrrolidin-1-ylpyridin-2-amine (PubChem CID 134525474) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is 3-methanimidoyl-4-methyl-N-propan-2-yl-6-pyrrolidin-1-ylpyridin-2-amine.

Molecular Properties

Compound Name3-methanimidoyl-4-methyl-N-propan-2-yl-6-pyrrolidin-1-ylpyridin-2-amine
PubChem CID134525474
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC Name3-methanimidoyl-4-methyl-N-propan-2-yl-6-pyrrolidin-1-ylpyridin-2-amine
SMILES[H]/N=C/c1c(C)cc(N2CCCC2)nc1NC(C)C
InChIInChI=1S/C14H22N4/c1-10(2)16-14-12(9-15)11(3)8-13(17-14)18-6-4-5-7-18/h8-10,15H,4-7H2,1-3H3,(H,16,17)/b15-9+
InChIKeyZGWRAVSCGJPBQK-OQLLNIDSSA-N
XLogP2.81
TPSA52.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 3-methanimidoyl-4-methyl-N-propan-2-yl-6-pyrrolidin-1-ylpyridin-2-amine?
The IUPAC name of 3-methanimidoyl-4-methyl-N-propan-2-yl-6-pyrrolidin-1-ylpyridin-2-amine (CID 134525474) is 3-methanimidoyl-4-methyl-N-propan-2-yl-6-pyrrolidin-1-ylpyridin-2-amine.
What is the SMILES notation for 3-methanimidoyl-4-methyl-N-propan-2-yl-6-pyrrolidin-1-ylpyridin-2-amine?
The canonical SMILES for 3-methanimidoyl-4-methyl-N-propan-2-yl-6-pyrrolidin-1-ylpyridin-2-amine is [H]/N=C/c1c(C)cc(N2CCCC2)nc1NC(C)C.
What is the InChIKey of 3-methanimidoyl-4-methyl-N-propan-2-yl-6-pyrrolidin-1-ylpyridin-2-amine?
The InChIKey is ZGWRAVSCGJPBQK-OQLLNIDSSA-N. The full InChI is InChI=1S/C14H22N4/c1-10(2)16-14-12(9-15)11(3)8-13(17-14)18-6-4-5-7-18/h8-10,15H,4-7H2,1-3H3,(H,16,17)/b15-9+.
What are the key properties of 3-methanimidoyl-4-methyl-N-propan-2-yl-6-pyrrolidin-1-ylpyridin-2-amine?
3-methanimidoyl-4-methyl-N-propan-2-yl-6-pyrrolidin-1-ylpyridin-2-amine has a molecular weight of 246.36 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methanimidoyl-4-methyl-N-propan-2-yl-6-pyrrolidin-1-ylpyridin-2-amine is sourced from PubChem (CID 134525474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).