propanimidoyl 4-methylpiperidine-1-carboximidate

C10H19N3O — CID 58993170

IUPACpropanimidoyl 4-methylpiperidine-1-carboximidate
SMILES[H]/N=C(\O/C(CC)=N/[H])N1CCC(C)CC1
InChIInChI=1S/C10H19N3O/c1-3-9(11)14-10(12)13-6-4-8(2)5-7-13/h8,11-12H,3-7H2,1-2H3/b11-9+,12-10-
InChIKeyRCSXLXZUCJLNNY-IXIPZQGVSA-N
MW197.28 g/mol
LogP2.06
Rot. Bonds1

About propanimidoyl 4-methylpiperidine-1-carboximidate

propanimidoyl 4-methylpiperidine-1-carboximidate (PubChem CID 58993170) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is propanimidoyl 4-methylpiperidine-1-carboximidate.

Molecular Properties

Compound Namepropanimidoyl 4-methylpiperidine-1-carboximidate
PubChem CID58993170
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Namepropanimidoyl 4-methylpiperidine-1-carboximidate
SMILES[H]/N=C(\O/C(CC)=N/[H])N1CCC(C)CC1
InChIInChI=1S/C10H19N3O/c1-3-9(11)14-10(12)13-6-4-8(2)5-7-13/h8,11-12H,3-7H2,1-2H3/b11-9+,12-10-
InChIKeyRCSXLXZUCJLNNY-IXIPZQGVSA-N
XLogP2.06
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of propanimidoyl 4-methylpiperidine-1-carboximidate?
The IUPAC name of propanimidoyl 4-methylpiperidine-1-carboximidate (CID 58993170) is propanimidoyl 4-methylpiperidine-1-carboximidate.
What is the SMILES notation for propanimidoyl 4-methylpiperidine-1-carboximidate?
The canonical SMILES for propanimidoyl 4-methylpiperidine-1-carboximidate is [H]/N=C(\O/C(CC)=N/[H])N1CCC(C)CC1.
What is the InChIKey of propanimidoyl 4-methylpiperidine-1-carboximidate?
The InChIKey is RCSXLXZUCJLNNY-IXIPZQGVSA-N. The full InChI is InChI=1S/C10H19N3O/c1-3-9(11)14-10(12)13-6-4-8(2)5-7-13/h8,11-12H,3-7H2,1-2H3/b11-9+,12-10-.
What are the key properties of propanimidoyl 4-methylpiperidine-1-carboximidate?
propanimidoyl 4-methylpiperidine-1-carboximidate has a molecular weight of 197.28 g/mol, XLogP of 2.06, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propanimidoyl 4-methylpiperidine-1-carboximidate is sourced from PubChem (CID 58993170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).