N-(2-methylidenepiperidin-1-yl)propan-2-imine

C9H16N2 — CID 167004021

IUPACN-(2-methylidenepiperidin-1-yl)propan-2-imine
SMILESC=C1CCCCN1N=C(C)C
InChIInChI=1S/C9H16N2/c1-8(2)10-11-7-5-4-6-9(11)3/h3-7H2,1-2H3
InChIKeyIUIBJUVJGQTKSU-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.38
Rot. Bonds1

About N-(2-methylidenepiperidin-1-yl)propan-2-imine

N-(2-methylidenepiperidin-1-yl)propan-2-imine (PubChem CID 167004021) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is N-(2-methylidenepiperidin-1-yl)propan-2-imine.

Molecular Properties

Compound NameN-(2-methylidenepiperidin-1-yl)propan-2-imine
PubChem CID167004021
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC NameN-(2-methylidenepiperidin-1-yl)propan-2-imine
SMILESC=C1CCCCN1N=C(C)C
InChIInChI=1S/C9H16N2/c1-8(2)10-11-7-5-4-6-9(11)3/h3-7H2,1-2H3
InChIKeyIUIBJUVJGQTKSU-UHFFFAOYSA-N
XLogP2.38
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.38
H-Bond Donors ≤ 50
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 N-(2-methylidenepiperidin-1-yl)propan-2-imine?
The IUPAC name of N-(2-methylidenepiperidin-1-yl)propan-2-imine (CID 167004021) is N-(2-methylidenepiperidin-1-yl)propan-2-imine.
What is the SMILES notation for N-(2-methylidenepiperidin-1-yl)propan-2-imine?
The canonical SMILES for N-(2-methylidenepiperidin-1-yl)propan-2-imine is C=C1CCCCN1N=C(C)C.
What is the InChIKey of N-(2-methylidenepiperidin-1-yl)propan-2-imine?
The InChIKey is IUIBJUVJGQTKSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-8(2)10-11-7-5-4-6-9(11)3/h3-7H2,1-2H3.
What are the key properties of N-(2-methylidenepiperidin-1-yl)propan-2-imine?
N-(2-methylidenepiperidin-1-yl)propan-2-imine has a molecular weight of 152.24 g/mol, XLogP of 2.38, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylidenepiperidin-1-yl)propan-2-imine is sourced from PubChem (CID 167004021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).