2-methyl-2-N-methylidene-1-piperidin-1-ylpropane-1,2-diimine

C10H19N3 — CID 21348457

IUPAC2-methyl-2-N-methylidene-1-piperidin-1-ylpropane-1,2-diimine
SMILES[H]/N=C(\N1CCCCC1)C(C)(C)N=C
InChIInChI=1S/C10H19N3/c1-10(2,12-3)9(11)13-7-5-4-6-8-13/h11H,3-8H2,1-2H3/b11-9-
InChIKeyUKWFIYVYWRKOSM-LUAWRHEFSA-N
MW181.28 g/mol
LogP1.93
Rot. Bonds2

About 2-methyl-2-N-methylidene-1-piperidin-1-ylpropane-1,2-diimine

2-methyl-2-N-methylidene-1-piperidin-1-ylpropane-1,2-diimine (PubChem CID 21348457) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is 2-methyl-2-N-methylidene-1-piperidin-1-ylpropane-1,2-diimine.

Molecular Properties

Compound Name2-methyl-2-N-methylidene-1-piperidin-1-ylpropane-1,2-diimine
PubChem CID21348457
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC Name2-methyl-2-N-methylidene-1-piperidin-1-ylpropane-1,2-diimine
SMILES[H]/N=C(\N1CCCCC1)C(C)(C)N=C
InChIInChI=1S/C10H19N3/c1-10(2,12-3)9(11)13-7-5-4-6-8-13/h11H,3-8H2,1-2H3/b11-9-
InChIKeyUKWFIYVYWRKOSM-LUAWRHEFSA-N
XLogP1.93
TPSA39.45 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.93
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-N-methylidene-1-piperidin-1-ylpropane-1,2-diimine?
The IUPAC name of 2-methyl-2-N-methylidene-1-piperidin-1-ylpropane-1,2-diimine (CID 21348457) is 2-methyl-2-N-methylidene-1-piperidin-1-ylpropane-1,2-diimine.
What is the SMILES notation for 2-methyl-2-N-methylidene-1-piperidin-1-ylpropane-1,2-diimine?
The canonical SMILES for 2-methyl-2-N-methylidene-1-piperidin-1-ylpropane-1,2-diimine is [H]/N=C(\N1CCCCC1)C(C)(C)N=C.
What is the InChIKey of 2-methyl-2-N-methylidene-1-piperidin-1-ylpropane-1,2-diimine?
The InChIKey is UKWFIYVYWRKOSM-LUAWRHEFSA-N. The full InChI is InChI=1S/C10H19N3/c1-10(2,12-3)9(11)13-7-5-4-6-8-13/h11H,3-8H2,1-2H3/b11-9-.
What are the key properties of 2-methyl-2-N-methylidene-1-piperidin-1-ylpropane-1,2-diimine?
2-methyl-2-N-methylidene-1-piperidin-1-ylpropane-1,2-diimine has a molecular weight of 181.28 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-N-methylidene-1-piperidin-1-ylpropane-1,2-diimine is sourced from PubChem (CID 21348457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).