(Z)-3-methyl-2-[(1-methylpiperidin-4-yl)iminomethyl]but-1-en-1-amine

C12H23N3 — CID 164585972

IUPAC(Z)-3-methyl-2-[(1-methylpiperidin-4-yl)iminomethyl]but-1-en-1-amine
SMILESCC(C)C(=C/N)/C=N/C1CCN(C)CC1
InChIInChI=1S/C12H23N3/c1-10(2)11(8-13)9-14-12-4-6-15(3)7-5-12/h8-10,12H,4-7,13H2,1-3H3/b11-8+,14-9+
InChIKeyXEZDBLZSCZEZTC-GBMJPCLJSA-N
MW209.34 g/mol
LogP1.65
Rot. Bonds3

About (Z)-3-methyl-2-[(1-methylpiperidin-4-yl)iminomethyl]but-1-en-1-amine

(Z)-3-methyl-2-[(1-methylpiperidin-4-yl)iminomethyl]but-1-en-1-amine (PubChem CID 164585972) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is (Z)-3-methyl-2-[(1-methylpiperidin-4-yl)iminomethyl]but-1-en-1-amine.

Molecular Properties

Compound Name(Z)-3-methyl-2-[(1-methylpiperidin-4-yl)iminomethyl]but-1-en-1-amine
PubChem CID164585972
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name(Z)-3-methyl-2-[(1-methylpiperidin-4-yl)iminomethyl]but-1-en-1-amine
SMILESCC(C)C(=C/N)/C=N/C1CCN(C)CC1
InChIInChI=1S/C12H23N3/c1-10(2)11(8-13)9-14-12-4-6-15(3)7-5-12/h8-10,12H,4-7,13H2,1-3H3/b11-8+,14-9+
InChIKeyXEZDBLZSCZEZTC-GBMJPCLJSA-N
XLogP1.65
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 51.65
H-Bond Donors ≤ 51
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 (Z)-3-methyl-2-[(1-methylpiperidin-4-yl)iminomethyl]but-1-en-1-amine?
The IUPAC name of (Z)-3-methyl-2-[(1-methylpiperidin-4-yl)iminomethyl]but-1-en-1-amine (CID 164585972) is (Z)-3-methyl-2-[(1-methylpiperidin-4-yl)iminomethyl]but-1-en-1-amine.
What is the SMILES notation for (Z)-3-methyl-2-[(1-methylpiperidin-4-yl)iminomethyl]but-1-en-1-amine?
The canonical SMILES for (Z)-3-methyl-2-[(1-methylpiperidin-4-yl)iminomethyl]but-1-en-1-amine is CC(C)C(=C/N)/C=N/C1CCN(C)CC1.
What is the InChIKey of (Z)-3-methyl-2-[(1-methylpiperidin-4-yl)iminomethyl]but-1-en-1-amine?
The InChIKey is XEZDBLZSCZEZTC-GBMJPCLJSA-N. The full InChI is InChI=1S/C12H23N3/c1-10(2)11(8-13)9-14-12-4-6-15(3)7-5-12/h8-10,12H,4-7,13H2,1-3H3/b11-8+,14-9+.
What are the key properties of (Z)-3-methyl-2-[(1-methylpiperidin-4-yl)iminomethyl]but-1-en-1-amine?
(Z)-3-methyl-2-[(1-methylpiperidin-4-yl)iminomethyl]but-1-en-1-amine has a molecular weight of 209.34 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-methyl-2-[(1-methylpiperidin-4-yl)iminomethyl]but-1-en-1-amine is sourced from PubChem (CID 164585972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).