N-ethyl-4-methyl-N'-prop-2-enylpiperidine-1-carboximidamide

C12H23N3 — CID 99846274

IUPACN-ethyl-4-methyl-N'-prop-2-enylpiperidine-1-carboximidamide
SMILESC=CC/N=C(\NCC)N1CCC(C)CC1
InChIInChI=1S/C12H23N3/c1-4-8-14-12(13-5-2)15-9-6-11(3)7-10-15/h4,11H,1,5-10H2,2-3H3,(H,13,14)
InChIKeyQHGKTYDCCUCJQQ-UHFFFAOYSA-N
MW209.34 g/mol
LogP1.87
Rot. Bonds3

About N-ethyl-4-methyl-N'-prop-2-enylpiperidine-1-carboximidamide

N-ethyl-4-methyl-N'-prop-2-enylpiperidine-1-carboximidamide (PubChem CID 99846274) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is N-ethyl-4-methyl-N'-prop-2-enylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN-ethyl-4-methyl-N'-prop-2-enylpiperidine-1-carboximidamide
PubChem CID99846274
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC NameN-ethyl-4-methyl-N'-prop-2-enylpiperidine-1-carboximidamide
SMILESC=CC/N=C(\NCC)N1CCC(C)CC1
InChIInChI=1S/C12H23N3/c1-4-8-14-12(13-5-2)15-9-6-11(3)7-10-15/h4,11H,1,5-10H2,2-3H3,(H,13,14)
InChIKeyQHGKTYDCCUCJQQ-UHFFFAOYSA-N
XLogP1.87
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methyl-N'-prop-2-enylpiperidine-1-carboximidamide?
The IUPAC name of N-ethyl-4-methyl-N'-prop-2-enylpiperidine-1-carboximidamide (CID 99846274) is N-ethyl-4-methyl-N'-prop-2-enylpiperidine-1-carboximidamide.
What is the SMILES notation for N-ethyl-4-methyl-N'-prop-2-enylpiperidine-1-carboximidamide?
The canonical SMILES for N-ethyl-4-methyl-N'-prop-2-enylpiperidine-1-carboximidamide is C=CC/N=C(\NCC)N1CCC(C)CC1.
What is the InChIKey of N-ethyl-4-methyl-N'-prop-2-enylpiperidine-1-carboximidamide?
The InChIKey is QHGKTYDCCUCJQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-4-8-14-12(13-5-2)15-9-6-11(3)7-10-15/h4,11H,1,5-10H2,2-3H3,(H,13,14).
What are the key properties of N-ethyl-4-methyl-N'-prop-2-enylpiperidine-1-carboximidamide?
N-ethyl-4-methyl-N'-prop-2-enylpiperidine-1-carboximidamide has a molecular weight of 209.34 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methyl-N'-prop-2-enylpiperidine-1-carboximidamide is sourced from PubChem (CID 99846274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).