1-methylpiperidin-4-amine;N'-methyl-N-prop-2-enylideneethanimidamide

C12H24N4 — CID 169104192

IUPAC1-methylpiperidin-4-amine;N'-methyl-N-prop-2-enylideneethanimidamide
SMILESC=C/C=N/C(C)=N/C.CN1CCC(N)CC1
InChIInChI=1S/C6H14N2.C6H10N2/c1-8-4-2-6(7)3-5-8;1-4-5-8-6(2)7-3/h6H,2-5,7H2,1H3;4-5H,1H2,2-3H3/b;7-6+,8-5+
InChIKeyUWNYEJMFMSOPNF-LZMDBRPDSA-N
MW224.35 g/mol
LogP1.33
Rot. Bonds1

About 1-methylpiperidin-4-amine;N'-methyl-N-prop-2-enylideneethanimidamide

1-methylpiperidin-4-amine;N'-methyl-N-prop-2-enylideneethanimidamide (PubChem CID 169104192) has the molecular formula C12H24N4 and a molecular weight of 224.35 g/mol. Its IUPAC name is 1-methylpiperidin-4-amine;N'-methyl-N-prop-2-enylideneethanimidamide.

Molecular Properties

Compound Name1-methylpiperidin-4-amine;N'-methyl-N-prop-2-enylideneethanimidamide
PubChem CID169104192
Molecular FormulaC12H24N4
Molecular Weight224.35 g/mol
Exact Mass224.20
IUPAC Name1-methylpiperidin-4-amine;N'-methyl-N-prop-2-enylideneethanimidamide
SMILESC=C/C=N/C(C)=N/C.CN1CCC(N)CC1
InChIInChI=1S/C6H14N2.C6H10N2/c1-8-4-2-6(7)3-5-8;1-4-5-8-6(2)7-3/h6H,2-5,7H2,1H3;4-5H,1H2,2-3H3/b;7-6+,8-5+
InChIKeyUWNYEJMFMSOPNF-LZMDBRPDSA-N
XLogP1.33
TPSA53.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.33
H-Bond Donors ≤ 51
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 1-methylpiperidin-4-amine;N'-methyl-N-prop-2-enylideneethanimidamide?
The IUPAC name of 1-methylpiperidin-4-amine;N'-methyl-N-prop-2-enylideneethanimidamide (CID 169104192) is 1-methylpiperidin-4-amine;N'-methyl-N-prop-2-enylideneethanimidamide.
What is the SMILES notation for 1-methylpiperidin-4-amine;N'-methyl-N-prop-2-enylideneethanimidamide?
The canonical SMILES for 1-methylpiperidin-4-amine;N'-methyl-N-prop-2-enylideneethanimidamide is C=C/C=N/C(C)=N/C.CN1CCC(N)CC1.
What is the InChIKey of 1-methylpiperidin-4-amine;N'-methyl-N-prop-2-enylideneethanimidamide?
The InChIKey is UWNYEJMFMSOPNF-LZMDBRPDSA-N. The full InChI is InChI=1S/C6H14N2.C6H10N2/c1-8-4-2-6(7)3-5-8;1-4-5-8-6(2)7-3/h6H,2-5,7H2,1H3;4-5H,1H2,2-3H3/b;7-6+,8-5+.
What are the key properties of 1-methylpiperidin-4-amine;N'-methyl-N-prop-2-enylideneethanimidamide?
1-methylpiperidin-4-amine;N'-methyl-N-prop-2-enylideneethanimidamide has a molecular weight of 224.35 g/mol, XLogP of 1.33, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylpiperidin-4-amine;N'-methyl-N-prop-2-enylideneethanimidamide is sourced from PubChem (CID 169104192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).