ethane;1-ethenylpiperidin-2-imine;propane

C12H26N2 — CID 145001509

IUPACethane;1-ethenylpiperidin-2-imine;propane
SMILESCC.CCC.[H]/N=C1\CCCCN1C=C
InChIInChI=1S/C7H12N2.C3H8.C2H6/c1-2-9-6-4-3-5-7(9)8;1-3-2;1-2/h2,8H,1,3-6H2;3H2,1-2H3;1-2H3/b8-7+;;
InChIKeySUIDJWJSJWWQFV-MIIBGCIDSA-N
MW198.35 g/mol
LogP4.04
Rot. Bonds1

About ethane;1-ethenylpiperidin-2-imine;propane

ethane;1-ethenylpiperidin-2-imine;propane (PubChem CID 145001509) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is ethane;1-ethenylpiperidin-2-imine;propane.

Molecular Properties

Compound Nameethane;1-ethenylpiperidin-2-imine;propane
PubChem CID145001509
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Nameethane;1-ethenylpiperidin-2-imine;propane
SMILESCC.CCC.[H]/N=C1\CCCCN1C=C
InChIInChI=1S/C7H12N2.C3H8.C2H6/c1-2-9-6-4-3-5-7(9)8;1-3-2;1-2/h2,8H,1,3-6H2;3H2,1-2H3;1-2H3/b8-7+;;
InChIKeySUIDJWJSJWWQFV-MIIBGCIDSA-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

1-Piperidin-1-ylpropan-1-imine
CID 63178583
1-Piperidin-1-ylbutan-1-imine
CID 63178584
N-ethenyl-N-propylpropanimidamide
CID 90299150
Ethane;1-methylpiperidin-2-imine
CID 90764422
1-Piperidin-1-ylhexan-1-imine
CID 90994554
1-Ethenyl-5,5-dimethylpiperidin-2-imine
CID 123938827
1-Ethenylpiperidin-2-imine
CID 134286385
1-ethenyl-N-methylpiperidin-2-imine
CID 134286600
(Z)-3-imino-N-methyl-3-piperidin-1-ylprop-1-en-1-amine
CID 136439665
N-methyl-N-[(Z)-(1-methylpiperidin-2-ylidene)amino]ethenamine
CID 142597361
ethane;N-ethenyl-1-methylpiperidin-2-imine
CID 142838386
N-butyl-N-ethenylpropanimidamide;ethane;methane
CID 144672533

Frequently Asked Questions

What is the IUPAC name of ethane;1-ethenylpiperidin-2-imine;propane?
The IUPAC name of ethane;1-ethenylpiperidin-2-imine;propane (CID 145001509) is ethane;1-ethenylpiperidin-2-imine;propane.
What is the SMILES notation for ethane;1-ethenylpiperidin-2-imine;propane?
The canonical SMILES for ethane;1-ethenylpiperidin-2-imine;propane is CC.CCC.[H]/N=C1\CCCCN1C=C.
What is the InChIKey of ethane;1-ethenylpiperidin-2-imine;propane?
The InChIKey is SUIDJWJSJWWQFV-MIIBGCIDSA-N. The full InChI is InChI=1S/C7H12N2.C3H8.C2H6/c1-2-9-6-4-3-5-7(9)8;1-3-2;1-2/h2,8H,1,3-6H2;3H2,1-2H3;1-2H3/b8-7+;;.
What are the key properties of ethane;1-ethenylpiperidin-2-imine;propane?
ethane;1-ethenylpiperidin-2-imine;propane 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-ethenylpiperidin-2-imine;propane is sourced from PubChem (CID 145001509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).