ethane;1-prop-1-en-2-ylpiperidin-2-imine

C12H26N2 — CID 172575743

IUPACethane;1-prop-1-en-2-ylpiperidin-2-imine
SMILESCC.CC.[H]/N=C1\CCCCN1C(=C)C
InChIInChI=1S/C8H14N2.2C2H6/c1-7(2)10-6-4-3-5-8(10)9;2*1-2/h9H,1,3-6H2,2H3;2*1-2H3/b9-8+;;
InChIKeyXXKFQEJKFHOJCX-YEUQMBKVSA-N
MW198.35 g/mol
LogP4.04
Rot. Bonds1

About ethane;1-prop-1-en-2-ylpiperidin-2-imine

ethane;1-prop-1-en-2-ylpiperidin-2-imine (PubChem CID 172575743) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is ethane;1-prop-1-en-2-ylpiperidin-2-imine.

Molecular Properties

Compound Nameethane;1-prop-1-en-2-ylpiperidin-2-imine
PubChem CID172575743
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Nameethane;1-prop-1-en-2-ylpiperidin-2-imine
SMILESCC.CC.[H]/N=C1\CCCCN1C(=C)C
InChIInChI=1S/C8H14N2.2C2H6/c1-7(2)10-6-4-3-5-8(10)9;2*1-2/h9H,1,3-6H2,2H3;2*1-2H3/b9-8+;;
InChIKeyXXKFQEJKFHOJCX-YEUQMBKVSA-N
XLogP4.04
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Ethane;1-ethenylpiperidin-2-imine
CID 144672604
Ethane;1-ethenylpiperidin-2-imine;propane
CID 145001509
4-Ethyl-1-prop-1-en-2-ylpiperidin-2-imine
CID 166139638
(Z)-4-imino-4-(2-methylpiperidin-1-yl)but-2-en-2-amine
CID 167047772
1-methyl-N-prop-1-en-2-ylpiperidin-2-imine
CID 167098890
3,3-Dimethyl-1-prop-1-en-2-ylpiperidin-2-imine;ethane
CID 168899850
1-(2-Methylidenepiperazin-1-yl)butan-1-imine
CID 176715674
N-methyl-N-prop-1-en-2-ylbutanimidamide
CID 143110742
3,3-Dimethyl-1-prop-1-en-2-ylpiperidin-2-imine
CID 168899851
1-Prop-1-en-2-ylpiperidin-2-imine
CID 172575744

Frequently Asked Questions

What is the IUPAC name of ethane;1-prop-1-en-2-ylpiperidin-2-imine?
The IUPAC name of ethane;1-prop-1-en-2-ylpiperidin-2-imine (CID 172575743) is ethane;1-prop-1-en-2-ylpiperidin-2-imine.
What is the SMILES notation for ethane;1-prop-1-en-2-ylpiperidin-2-imine?
The canonical SMILES for ethane;1-prop-1-en-2-ylpiperidin-2-imine is CC.CC.[H]/N=C1\CCCCN1C(=C)C.
What is the InChIKey of ethane;1-prop-1-en-2-ylpiperidin-2-imine?
The InChIKey is XXKFQEJKFHOJCX-YEUQMBKVSA-N. The full InChI is InChI=1S/C8H14N2.2C2H6/c1-7(2)10-6-4-3-5-8(10)9;2*1-2/h9H,1,3-6H2,2H3;2*1-2H3/b9-8+;;.
What are the key properties of ethane;1-prop-1-en-2-ylpiperidin-2-imine?
ethane;1-prop-1-en-2-ylpiperidin-2-imine has a molecular weight of 198.35 g/mol, XLogP of 4.04, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-prop-1-en-2-ylpiperidin-2-imine is sourced from PubChem (CID 172575743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).