(2E)-N,N-dimethyl-4-(3-methylpiperidin-1-yl)penta-2,4-dien-1-amine

C13H24N2 — CID 142361936

IUPAC(2E)-N,N-dimethyl-4-(3-methylpiperidin-1-yl)penta-2,4-dien-1-amine
SMILESC=C(/C=C/CN(C)C)N1CCCC(C)C1
InChIInChI=1S/C13H24N2/c1-12-7-5-10-15(11-12)13(2)8-6-9-14(3)4/h6,8,12H,2,5,7,9-11H2,1,3-4H3/b8-6+
InChIKeyWGLZEWADHSJQRU-SOFGYWHQSA-N
MW208.35 g/mol
LogP2.35
Rot. Bonds4

About (2E)-N,N-dimethyl-4-(3-methylpiperidin-1-yl)penta-2,4-dien-1-amine

(2E)-N,N-dimethyl-4-(3-methylpiperidin-1-yl)penta-2,4-dien-1-amine (PubChem CID 142361936) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is (2E)-N,N-dimethyl-4-(3-methylpiperidin-1-yl)penta-2,4-dien-1-amine.

Molecular Properties

Compound Name(2E)-N,N-dimethyl-4-(3-methylpiperidin-1-yl)penta-2,4-dien-1-amine
PubChem CID142361936
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name(2E)-N,N-dimethyl-4-(3-methylpiperidin-1-yl)penta-2,4-dien-1-amine
SMILESC=C(/C=C/CN(C)C)N1CCCC(C)C1
InChIInChI=1S/C13H24N2/c1-12-7-5-10-15(11-12)13(2)8-6-9-14(3)4/h6,8,12H,2,5,7,9-11H2,1,3-4H3/b8-6+
InChIKeyWGLZEWADHSJQRU-SOFGYWHQSA-N
XLogP2.35
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E)-N,N-dimethyl-4-(3-methylpiperidin-1-yl)penta-2,4-dien-1-amine?
The IUPAC name of (2E)-N,N-dimethyl-4-(3-methylpiperidin-1-yl)penta-2,4-dien-1-amine (CID 142361936) is (2E)-N,N-dimethyl-4-(3-methylpiperidin-1-yl)penta-2,4-dien-1-amine.
What is the SMILES notation for (2E)-N,N-dimethyl-4-(3-methylpiperidin-1-yl)penta-2,4-dien-1-amine?
The canonical SMILES for (2E)-N,N-dimethyl-4-(3-methylpiperidin-1-yl)penta-2,4-dien-1-amine is C=C(/C=C/CN(C)C)N1CCCC(C)C1.
What is the InChIKey of (2E)-N,N-dimethyl-4-(3-methylpiperidin-1-yl)penta-2,4-dien-1-amine?
The InChIKey is WGLZEWADHSJQRU-SOFGYWHQSA-N. The full InChI is InChI=1S/C13H24N2/c1-12-7-5-10-15(11-12)13(2)8-6-9-14(3)4/h6,8,12H,2,5,7,9-11H2,1,3-4H3/b8-6+.
What are the key properties of (2E)-N,N-dimethyl-4-(3-methylpiperidin-1-yl)penta-2,4-dien-1-amine?
(2E)-N,N-dimethyl-4-(3-methylpiperidin-1-yl)penta-2,4-dien-1-amine has a molecular weight of 208.35 g/mol, XLogP of 2.35, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N,N-dimethyl-4-(3-methylpiperidin-1-yl)penta-2,4-dien-1-amine is sourced from PubChem (CID 142361936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).