N-[2-(4-methylidenepiperidin-1-yl)ethyl]propan-2-imine

C11H20N2 — CID 90764055

IUPACN-[2-(4-methylidenepiperidin-1-yl)ethyl]propan-2-imine
SMILESC=C1CCN(CCN=C(C)C)CC1
InChIInChI=1S/C11H20N2/c1-10(2)12-6-9-13-7-4-11(3)5-8-13/h3-9H2,1-2H3
InChIKeyPYZNIRBCPCRQFC-UHFFFAOYSA-N
MW180.29 g/mol
LogP2.12
Rot. Bonds3

About N-[2-(4-methylidenepiperidin-1-yl)ethyl]propan-2-imine

N-[2-(4-methylidenepiperidin-1-yl)ethyl]propan-2-imine (PubChem CID 90764055) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is N-[2-(4-methylidenepiperidin-1-yl)ethyl]propan-2-imine.

Molecular Properties

Compound NameN-[2-(4-methylidenepiperidin-1-yl)ethyl]propan-2-imine
PubChem CID90764055
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC NameN-[2-(4-methylidenepiperidin-1-yl)ethyl]propan-2-imine
SMILESC=C1CCN(CCN=C(C)C)CC1
InChIInChI=1S/C11H20N2/c1-10(2)12-6-9-13-7-4-11(3)5-8-13/h3-9H2,1-2H3
InChIKeyPYZNIRBCPCRQFC-UHFFFAOYSA-N
XLogP2.12
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylidenepiperidin-1-yl)ethyl]propan-2-imine?
The IUPAC name of N-[2-(4-methylidenepiperidin-1-yl)ethyl]propan-2-imine (CID 90764055) is N-[2-(4-methylidenepiperidin-1-yl)ethyl]propan-2-imine.
What is the SMILES notation for N-[2-(4-methylidenepiperidin-1-yl)ethyl]propan-2-imine?
The canonical SMILES for N-[2-(4-methylidenepiperidin-1-yl)ethyl]propan-2-imine is C=C1CCN(CCN=C(C)C)CC1.
What is the InChIKey of N-[2-(4-methylidenepiperidin-1-yl)ethyl]propan-2-imine?
The InChIKey is PYZNIRBCPCRQFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-10(2)12-6-9-13-7-4-11(3)5-8-13/h3-9H2,1-2H3.
What are the key properties of N-[2-(4-methylidenepiperidin-1-yl)ethyl]propan-2-imine?
N-[2-(4-methylidenepiperidin-1-yl)ethyl]propan-2-imine has a molecular weight of 180.29 g/mol, XLogP of 2.12, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylidenepiperidin-1-yl)ethyl]propan-2-imine is sourced from PubChem (CID 90764055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).