(1E,3E)-1-(methylideneamino)-1-(1-methylpiperidin-4-yl)oxypenta-1,3-dien-3-amine

C12H21N3O — CID 167251375

IUPAC(1E,3E)-1-(methylideneamino)-1-(1-methylpiperidin-4-yl)oxypenta-1,3-dien-3-amine
SMILESC=N/C(=C\C(N)=C/C)OC1CCN(C)CC1
InChIInChI=1S/C12H21N3O/c1-4-10(13)9-12(14-2)16-11-5-7-15(3)8-6-11/h4,9,11H,2,5-8,13H2,1,3H3/b10-4+,12-9+
InChIKeyHSTRPSGYEALGKH-XCTMZBPXSA-N
MW223.32 g/mol
LogP1.50
Rot. Bonds4

About (1E,3E)-1-(methylideneamino)-1-(1-methylpiperidin-4-yl)oxypenta-1,3-dien-3-amine

(1E,3E)-1-(methylideneamino)-1-(1-methylpiperidin-4-yl)oxypenta-1,3-dien-3-amine (PubChem CID 167251375) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is (1E,3E)-1-(methylideneamino)-1-(1-methylpiperidin-4-yl)oxypenta-1,3-dien-3-amine.

Molecular Properties

Compound Name(1E,3E)-1-(methylideneamino)-1-(1-methylpiperidin-4-yl)oxypenta-1,3-dien-3-amine
PubChem CID167251375
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name(1E,3E)-1-(methylideneamino)-1-(1-methylpiperidin-4-yl)oxypenta-1,3-dien-3-amine
SMILESC=N/C(=C\C(N)=C/C)OC1CCN(C)CC1
InChIInChI=1S/C12H21N3O/c1-4-10(13)9-12(14-2)16-11-5-7-15(3)8-6-11/h4,9,11H,2,5-8,13H2,1,3H3/b10-4+,12-9+
InChIKeyHSTRPSGYEALGKH-XCTMZBPXSA-N
XLogP1.50
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.50
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'}

Analyze (1E,3E)-1-(methylideneamino)-1-(1-methylpiperidin-4-yl)oxypenta-1,3-dien-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1E,3E)-1-(methylideneamino)-1-(1-methylpiperidin-4-yl)oxypenta-1,3-dien-3-amine?
The IUPAC name of (1E,3E)-1-(methylideneamino)-1-(1-methylpiperidin-4-yl)oxypenta-1,3-dien-3-amine (CID 167251375) is (1E,3E)-1-(methylideneamino)-1-(1-methylpiperidin-4-yl)oxypenta-1,3-dien-3-amine.
What is the SMILES notation for (1E,3E)-1-(methylideneamino)-1-(1-methylpiperidin-4-yl)oxypenta-1,3-dien-3-amine?
The canonical SMILES for (1E,3E)-1-(methylideneamino)-1-(1-methylpiperidin-4-yl)oxypenta-1,3-dien-3-amine is C=N/C(=C\C(N)=C/C)OC1CCN(C)CC1.
What is the InChIKey of (1E,3E)-1-(methylideneamino)-1-(1-methylpiperidin-4-yl)oxypenta-1,3-dien-3-amine?
The InChIKey is HSTRPSGYEALGKH-XCTMZBPXSA-N. The full InChI is InChI=1S/C12H21N3O/c1-4-10(13)9-12(14-2)16-11-5-7-15(3)8-6-11/h4,9,11H,2,5-8,13H2,1,3H3/b10-4+,12-9+.
What are the key properties of (1E,3E)-1-(methylideneamino)-1-(1-methylpiperidin-4-yl)oxypenta-1,3-dien-3-amine?
(1E,3E)-1-(methylideneamino)-1-(1-methylpiperidin-4-yl)oxypenta-1,3-dien-3-amine has a molecular weight of 223.32 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3E)-1-(methylideneamino)-1-(1-methylpiperidin-4-yl)oxypenta-1,3-dien-3-amine is sourced from PubChem (CID 167251375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).