ethane;1-methylpiperidin-2-imine

C8H18N2 — CID 90764422

IUPACethane;1-methylpiperidin-2-imine
SMILESCC.[H]/N=C1\CCCCN1C
InChIInChI=1S/C6H12N2.C2H6/c1-8-5-3-2-4-6(8)7;1-2/h7H,2-5H2,1H3;1-2H3/b7-6+;
InChIKeyLLBHGQANFWXCSD-UHDJGPCESA-N
MW142.25 g/mol
LogP2.11
Rot. Bonds

About ethane;1-methylpiperidin-2-imine

ethane;1-methylpiperidin-2-imine (PubChem CID 90764422) has the molecular formula C8H18N2 and a molecular weight of 142.25 g/mol. Its IUPAC name is ethane;1-methylpiperidin-2-imine.

Molecular Properties

Compound Nameethane;1-methylpiperidin-2-imine
PubChem CID90764422
Molecular FormulaC8H18N2
Molecular Weight142.25 g/mol
Exact Mass142.15
IUPAC Nameethane;1-methylpiperidin-2-imine
SMILESCC.[H]/N=C1\CCCCN1C
InChIInChI=1S/C6H12N2.C2H6/c1-8-5-3-2-4-6(8)7;1-2/h7H,2-5H2,1H3;1-2H3/b7-6+;
InChIKeyLLBHGQANFWXCSD-UHDJGPCESA-N
XLogP2.11
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.25
LogP ≤ 52.11
H-Bond Donors ≤ 51
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 ethane;1-methylpiperidin-2-imine?
The IUPAC name of ethane;1-methylpiperidin-2-imine (CID 90764422) is ethane;1-methylpiperidin-2-imine.
What is the SMILES notation for ethane;1-methylpiperidin-2-imine?
The canonical SMILES for ethane;1-methylpiperidin-2-imine is CC.[H]/N=C1\CCCCN1C.
What is the InChIKey of ethane;1-methylpiperidin-2-imine?
The InChIKey is LLBHGQANFWXCSD-UHDJGPCESA-N. The full InChI is InChI=1S/C6H12N2.C2H6/c1-8-5-3-2-4-6(8)7;1-2/h7H,2-5H2,1H3;1-2H3/b7-6+;.
What are the key properties of ethane;1-methylpiperidin-2-imine?
ethane;1-methylpiperidin-2-imine has a molecular weight of 142.25 g/mol, XLogP of 2.11, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methylpiperidin-2-imine is sourced from PubChem (CID 90764422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).