1-methylpiperidine;N'-methyl-N-prop-2-enylideneethanimidamide

C12H23N3 — CID 169104163

IUPAC1-methylpiperidine;N'-methyl-N-prop-2-enylideneethanimidamide
SMILESC=C/C=N/C(C)=N/C.CN1CCCCC1
InChIInChI=1S/C6H10N2.C6H13N/c1-4-5-8-6(2)7-3;1-7-5-3-2-4-6-7/h4-5H,1H2,2-3H3;2-6H2,1H3/b7-6+,8-5+;
InChIKeyPEPKACCUNJVNGH-SGVYSVLESA-N
MW209.34 g/mol
LogP2.39
Rot. Bonds1

About 1-methylpiperidine;N'-methyl-N-prop-2-enylideneethanimidamide

1-methylpiperidine;N'-methyl-N-prop-2-enylideneethanimidamide (PubChem CID 169104163) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is 1-methylpiperidine;N'-methyl-N-prop-2-enylideneethanimidamide.

Molecular Properties

Compound Name1-methylpiperidine;N'-methyl-N-prop-2-enylideneethanimidamide
PubChem CID169104163
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name1-methylpiperidine;N'-methyl-N-prop-2-enylideneethanimidamide
SMILESC=C/C=N/C(C)=N/C.CN1CCCCC1
InChIInChI=1S/C6H10N2.C6H13N/c1-4-5-8-6(2)7-3;1-7-5-3-2-4-6-7/h4-5H,1H2,2-3H3;2-6H2,1H3/b7-6+,8-5+;
InChIKeyPEPKACCUNJVNGH-SGVYSVLESA-N
XLogP2.39
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(1-ethylpiperidin-4-yl)prop-2-en-1-imine
CID 123932561
N',1-dimethyl-N-prop-2-enylidenepiperidine-4-carboximidamide;ethane
CID 169104155
1-[(E)-but-2-enylidene]piperidin-1-ium
CID 101234497
N',1-dimethyl-N-prop-2-enylidenepiperidine-4-carboximidamide
CID 169104156
(NZ)-N'-methyl-N-prop-2-enylidenepiperidine-1-carboximidamide
CID 171847589

Frequently Asked Questions

What is the IUPAC name of 1-methylpiperidine;N'-methyl-N-prop-2-enylideneethanimidamide?
The IUPAC name of 1-methylpiperidine;N'-methyl-N-prop-2-enylideneethanimidamide (CID 169104163) is 1-methylpiperidine;N'-methyl-N-prop-2-enylideneethanimidamide.
What is the SMILES notation for 1-methylpiperidine;N'-methyl-N-prop-2-enylideneethanimidamide?
The canonical SMILES for 1-methylpiperidine;N'-methyl-N-prop-2-enylideneethanimidamide is C=C/C=N/C(C)=N/C.CN1CCCCC1.
What is the InChIKey of 1-methylpiperidine;N'-methyl-N-prop-2-enylideneethanimidamide?
The InChIKey is PEPKACCUNJVNGH-SGVYSVLESA-N. The full InChI is InChI=1S/C6H10N2.C6H13N/c1-4-5-8-6(2)7-3;1-7-5-3-2-4-6-7/h4-5H,1H2,2-3H3;2-6H2,1H3/b7-6+,8-5+;.
What are the key properties of 1-methylpiperidine;N'-methyl-N-prop-2-enylideneethanimidamide?
1-methylpiperidine;N'-methyl-N-prop-2-enylideneethanimidamide has a molecular weight of 209.34 g/mol, XLogP of 2.39, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylpiperidine;N'-methyl-N-prop-2-enylideneethanimidamide is sourced from PubChem (CID 169104163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).