1-methyl-4-propan-2-ylidenepiperidin-3-imine

C9H16N2 — CID 145046777

IUPAC1-methyl-4-propan-2-ylidenepiperidin-3-imine
SMILES[H]/N=C1\CN(C)CCC1=C(C)C
InChIInChI=1S/C9H16N2/c1-7(2)8-4-5-11(3)6-9(8)10/h10H,4-6H2,1-3H3/b10-9+
InChIKeyKKYPGVBKNBIDGE-MDZDMXLPSA-N
MW152.24 g/mol
LogP1.68
Rot. Bonds

About 1-methyl-4-propan-2-ylidenepiperidin-3-imine

1-methyl-4-propan-2-ylidenepiperidin-3-imine (PubChem CID 145046777) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 1-methyl-4-propan-2-ylidenepiperidin-3-imine.

Molecular Properties

Compound Name1-methyl-4-propan-2-ylidenepiperidin-3-imine
PubChem CID145046777
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name1-methyl-4-propan-2-ylidenepiperidin-3-imine
SMILES[H]/N=C1\CN(C)CCC1=C(C)C
InChIInChI=1S/C9H16N2/c1-7(2)8-4-5-11(3)6-9(8)10/h10H,4-6H2,1-3H3/b10-9+
InChIKeyKKYPGVBKNBIDGE-MDZDMXLPSA-N
XLogP1.68
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-propan-2-ylidenepiperidin-3-imine?
The IUPAC name of 1-methyl-4-propan-2-ylidenepiperidin-3-imine (CID 145046777) is 1-methyl-4-propan-2-ylidenepiperidin-3-imine.
What is the SMILES notation for 1-methyl-4-propan-2-ylidenepiperidin-3-imine?
The canonical SMILES for 1-methyl-4-propan-2-ylidenepiperidin-3-imine is [H]/N=C1\CN(C)CCC1=C(C)C.
What is the InChIKey of 1-methyl-4-propan-2-ylidenepiperidin-3-imine?
The InChIKey is KKYPGVBKNBIDGE-MDZDMXLPSA-N. The full InChI is InChI=1S/C9H16N2/c1-7(2)8-4-5-11(3)6-9(8)10/h10H,4-6H2,1-3H3/b10-9+.
What are the key properties of 1-methyl-4-propan-2-ylidenepiperidin-3-imine?
1-methyl-4-propan-2-ylidenepiperidin-3-imine has a molecular weight of 152.24 g/mol, XLogP of 1.68, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-propan-2-ylidenepiperidin-3-imine is sourced from PubChem (CID 145046777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).