1-methyl-N-prop-1-en-2-ylpiperidin-2-imine

C9H16N2 — CID 167098890

IUPAC1-methyl-N-prop-1-en-2-ylpiperidin-2-imine
SMILESC=C(C)/N=C1\CCCCN1C
InChIInChI=1S/C9H16N2/c1-8(2)10-9-6-4-5-7-11(9)3/h1,4-7H2,2-3H3/b10-9+
InChIKeyHKDZOBRUOHYFEK-MDZDMXLPSA-N
MW152.24 g/mol
LogP2.03
Rot. Bonds1

About 1-methyl-N-prop-1-en-2-ylpiperidin-2-imine

1-methyl-N-prop-1-en-2-ylpiperidin-2-imine (PubChem CID 167098890) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 1-methyl-N-prop-1-en-2-ylpiperidin-2-imine.

Molecular Properties

Compound Name1-methyl-N-prop-1-en-2-ylpiperidin-2-imine
PubChem CID167098890
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name1-methyl-N-prop-1-en-2-ylpiperidin-2-imine
SMILESC=C(C)/N=C1\CCCCN1C
InChIInChI=1S/C9H16N2/c1-8(2)10-9-6-4-5-7-11(9)3/h1,4-7H2,2-3H3/b10-9+
InChIKeyHKDZOBRUOHYFEK-MDZDMXLPSA-N
XLogP2.03
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-N-prop-1-en-2-ylpiperidin-2-imine?
The IUPAC name of 1-methyl-N-prop-1-en-2-ylpiperidin-2-imine (CID 167098890) is 1-methyl-N-prop-1-en-2-ylpiperidin-2-imine.
What is the SMILES notation for 1-methyl-N-prop-1-en-2-ylpiperidin-2-imine?
The canonical SMILES for 1-methyl-N-prop-1-en-2-ylpiperidin-2-imine is C=C(C)/N=C1\CCCCN1C.
What is the InChIKey of 1-methyl-N-prop-1-en-2-ylpiperidin-2-imine?
The InChIKey is HKDZOBRUOHYFEK-MDZDMXLPSA-N. The full InChI is InChI=1S/C9H16N2/c1-8(2)10-9-6-4-5-7-11(9)3/h1,4-7H2,2-3H3/b10-9+.
What are the key properties of 1-methyl-N-prop-1-en-2-ylpiperidin-2-imine?
1-methyl-N-prop-1-en-2-ylpiperidin-2-imine has a molecular weight of 152.24 g/mol, XLogP of 2.03, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-prop-1-en-2-ylpiperidin-2-imine is sourced from PubChem (CID 167098890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).