(2Z,4E)-N-methyl-5-(methylideneamino)-5-(1-methylpiperidin-4-yl)oxypenta-2,4-dien-1-amine

C13H23N3O — CID 142956961

IUPAC(2Z,4E)-N-methyl-5-(methylideneamino)-5-(1-methylpiperidin-4-yl)oxypenta-2,4-dien-1-amine
SMILESC=N/C(=C\C=C/CNC)OC1CCN(C)CC1
InChIInChI=1S/C13H23N3O/c1-14-9-5-4-6-13(15-2)17-12-7-10-16(3)11-8-12/h4-6,12,14H,2,7-11H2,1,3H3/b5-4-,13-6+
InChIKeyDLFPEGQHZHDBTP-VRPUZZSBSA-N
MW237.35 g/mol
LogP1.41
Rot. Bonds6

About (2Z,4E)-N-methyl-5-(methylideneamino)-5-(1-methylpiperidin-4-yl)oxypenta-2,4-dien-1-amine

(2Z,4E)-N-methyl-5-(methylideneamino)-5-(1-methylpiperidin-4-yl)oxypenta-2,4-dien-1-amine (PubChem CID 142956961) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is (2Z,4E)-N-methyl-5-(methylideneamino)-5-(1-methylpiperidin-4-yl)oxypenta-2,4-dien-1-amine.

Molecular Properties

Compound Name(2Z,4E)-N-methyl-5-(methylideneamino)-5-(1-methylpiperidin-4-yl)oxypenta-2,4-dien-1-amine
PubChem CID142956961
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name(2Z,4E)-N-methyl-5-(methylideneamino)-5-(1-methylpiperidin-4-yl)oxypenta-2,4-dien-1-amine
SMILESC=N/C(=C\C=C/CNC)OC1CCN(C)CC1
InChIInChI=1S/C13H23N3O/c1-14-9-5-4-6-13(15-2)17-12-7-10-16(3)11-8-12/h4-6,12,14H,2,7-11H2,1,3H3/b5-4-,13-6+
InChIKeyDLFPEGQHZHDBTP-VRPUZZSBSA-N
XLogP1.41
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z,4E)-N-methyl-5-(methylideneamino)-5-(1-methylpiperidin-4-yl)oxypenta-2,4-dien-1-amine?
The IUPAC name of (2Z,4E)-N-methyl-5-(methylideneamino)-5-(1-methylpiperidin-4-yl)oxypenta-2,4-dien-1-amine (CID 142956961) is (2Z,4E)-N-methyl-5-(methylideneamino)-5-(1-methylpiperidin-4-yl)oxypenta-2,4-dien-1-amine.
What is the SMILES notation for (2Z,4E)-N-methyl-5-(methylideneamino)-5-(1-methylpiperidin-4-yl)oxypenta-2,4-dien-1-amine?
The canonical SMILES for (2Z,4E)-N-methyl-5-(methylideneamino)-5-(1-methylpiperidin-4-yl)oxypenta-2,4-dien-1-amine is C=N/C(=C\C=C/CNC)OC1CCN(C)CC1.
What is the InChIKey of (2Z,4E)-N-methyl-5-(methylideneamino)-5-(1-methylpiperidin-4-yl)oxypenta-2,4-dien-1-amine?
The InChIKey is DLFPEGQHZHDBTP-VRPUZZSBSA-N. The full InChI is InChI=1S/C13H23N3O/c1-14-9-5-4-6-13(15-2)17-12-7-10-16(3)11-8-12/h4-6,12,14H,2,7-11H2,1,3H3/b5-4-,13-6+.
What are the key properties of (2Z,4E)-N-methyl-5-(methylideneamino)-5-(1-methylpiperidin-4-yl)oxypenta-2,4-dien-1-amine?
(2Z,4E)-N-methyl-5-(methylideneamino)-5-(1-methylpiperidin-4-yl)oxypenta-2,4-dien-1-amine has a molecular weight of 237.35 g/mol, XLogP of 1.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-N-methyl-5-(methylideneamino)-5-(1-methylpiperidin-4-yl)oxypenta-2,4-dien-1-amine is sourced from PubChem (CID 142956961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).