N,N-dimethyl-2-(3-methylidene-4-pent-2-en-2-yliminopiperidin-1-yl)ethanamine;ethane

C19H39N3 — CID 145197853

IUPACN,N-dimethyl-2-(3-methylidene-4-pent-2-en-2-yliminopiperidin-1-yl)ethanamine;ethane
SMILESC=C1CN(CCN(C)C)CC/C1=N\C(C)=CCC.CC.CC
InChIInChI=1S/C15H27N3.2C2H6/c1-6-7-14(3)16-15-8-9-18(12-13(15)2)11-10-17(4)5;2*1-2/h7H,2,6,8-12H2,1,3-5H3;2*1-2H3/b14-7?,16-15+;;
InChIKeyVIBQBYBFRPJIMV-QGPICMMWSA-N
MW309.54 g/mol
LogP4.62
Rot. Bonds5

About N,N-dimethyl-2-(3-methylidene-4-pent-2-en-2-yliminopiperidin-1-yl)ethanamine;ethane

N,N-dimethyl-2-(3-methylidene-4-pent-2-en-2-yliminopiperidin-1-yl)ethanamine;ethane (PubChem CID 145197853) has the molecular formula C19H39N3 and a molecular weight of 309.54 g/mol. Its IUPAC name is N,N-dimethyl-2-(3-methylidene-4-pent-2-en-2-yliminopiperidin-1-yl)ethanamine;ethane.

Molecular Properties

Compound NameN,N-dimethyl-2-(3-methylidene-4-pent-2-en-2-yliminopiperidin-1-yl)ethanamine;ethane
PubChem CID145197853
Molecular FormulaC19H39N3
Molecular Weight309.54 g/mol
Exact Mass309.31
IUPAC NameN,N-dimethyl-2-(3-methylidene-4-pent-2-en-2-yliminopiperidin-1-yl)ethanamine;ethane
SMILESC=C1CN(CCN(C)C)CC/C1=N\C(C)=CCC.CC.CC
InChIInChI=1S/C15H27N3.2C2H6/c1-6-7-14(3)16-15-8-9-18(12-13(15)2)11-10-17(4)5;2*1-2/h7H,2,6,8-12H2,1,3-5H3;2*1-2H3/b14-7?,16-15+;;
InChIKeyVIBQBYBFRPJIMV-QGPICMMWSA-N
XLogP4.62
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.54
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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,N-dimethyl-2-(3-methylidene-4-pent-2-en-2-yliminopiperidin-1-yl)ethanamine;ethane?
The IUPAC name of N,N-dimethyl-2-(3-methylidene-4-pent-2-en-2-yliminopiperidin-1-yl)ethanamine;ethane (CID 145197853) is N,N-dimethyl-2-(3-methylidene-4-pent-2-en-2-yliminopiperidin-1-yl)ethanamine;ethane.
What is the SMILES notation for N,N-dimethyl-2-(3-methylidene-4-pent-2-en-2-yliminopiperidin-1-yl)ethanamine;ethane?
The canonical SMILES for N,N-dimethyl-2-(3-methylidene-4-pent-2-en-2-yliminopiperidin-1-yl)ethanamine;ethane is C=C1CN(CCN(C)C)CC/C1=N\C(C)=CCC.CC.CC.
What is the InChIKey of N,N-dimethyl-2-(3-methylidene-4-pent-2-en-2-yliminopiperidin-1-yl)ethanamine;ethane?
The InChIKey is VIBQBYBFRPJIMV-QGPICMMWSA-N. The full InChI is InChI=1S/C15H27N3.2C2H6/c1-6-7-14(3)16-15-8-9-18(12-13(15)2)11-10-17(4)5;2*1-2/h7H,2,6,8-12H2,1,3-5H3;2*1-2H3/b14-7?,16-15+;;.
What are the key properties of N,N-dimethyl-2-(3-methylidene-4-pent-2-en-2-yliminopiperidin-1-yl)ethanamine;ethane?
N,N-dimethyl-2-(3-methylidene-4-pent-2-en-2-yliminopiperidin-1-yl)ethanamine;ethane has a molecular weight of 309.54 g/mol, XLogP of 4.62, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(3-methylidene-4-pent-2-en-2-yliminopiperidin-1-yl)ethanamine;ethane is sourced from PubChem (CID 145197853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).