(2Z)-N,3-dimethylpenta-2,4-dien-1-imine;1,4,4-trimethylpiperidine

C15H28N2 — CID 142009709

IUPAC(2Z)-N,3-dimethylpenta-2,4-dien-1-imine;1,4,4-trimethylpiperidine
SMILESC=C/C(C)=C\C=N\C.CN1CCC(C)(C)CC1
InChIInChI=1S/C8H17N.C7H11N/c1-8(2)4-6-9(3)7-5-8;1-4-7(2)5-6-8-3/h4-7H2,1-3H3;4-6H,1H2,2-3H3/b;7-5-,8-6+
InChIKeyFMZHXODLYZOQBD-VFRJUPNGSA-N
MW236.40 g/mol
LogP3.56
Rot. Bonds2

About (2Z)-N,3-dimethylpenta-2,4-dien-1-imine;1,4,4-trimethylpiperidine

(2Z)-N,3-dimethylpenta-2,4-dien-1-imine;1,4,4-trimethylpiperidine (PubChem CID 142009709) has the molecular formula C15H28N2 and a molecular weight of 236.40 g/mol. Its IUPAC name is (2Z)-N,3-dimethylpenta-2,4-dien-1-imine;1,4,4-trimethylpiperidine.

Molecular Properties

Compound Name(2Z)-N,3-dimethylpenta-2,4-dien-1-imine;1,4,4-trimethylpiperidine
PubChem CID142009709
Molecular FormulaC15H28N2
Molecular Weight236.40 g/mol
Exact Mass236.23
IUPAC Name(2Z)-N,3-dimethylpenta-2,4-dien-1-imine;1,4,4-trimethylpiperidine
SMILESC=C/C(C)=C\C=N\C.CN1CCC(C)(C)CC1
InChIInChI=1S/C8H17N.C7H11N/c1-8(2)4-6-9(3)7-5-8;1-4-7(2)5-6-8-3/h4-7H2,1-3H3;4-6H,1H2,2-3H3/b;7-5-,8-6+
InChIKeyFMZHXODLYZOQBD-VFRJUPNGSA-N
XLogP3.56
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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)-N,3-dimethylpenta-2,4-dien-1-imine;1,4,4-trimethylpiperidine?
The IUPAC name of (2Z)-N,3-dimethylpenta-2,4-dien-1-imine;1,4,4-trimethylpiperidine (CID 142009709) is (2Z)-N,3-dimethylpenta-2,4-dien-1-imine;1,4,4-trimethylpiperidine.
What is the SMILES notation for (2Z)-N,3-dimethylpenta-2,4-dien-1-imine;1,4,4-trimethylpiperidine?
The canonical SMILES for (2Z)-N,3-dimethylpenta-2,4-dien-1-imine;1,4,4-trimethylpiperidine is C=C/C(C)=C\C=N\C.CN1CCC(C)(C)CC1.
What is the InChIKey of (2Z)-N,3-dimethylpenta-2,4-dien-1-imine;1,4,4-trimethylpiperidine?
The InChIKey is FMZHXODLYZOQBD-VFRJUPNGSA-N. The full InChI is InChI=1S/C8H17N.C7H11N/c1-8(2)4-6-9(3)7-5-8;1-4-7(2)5-6-8-3/h4-7H2,1-3H3;4-6H,1H2,2-3H3/b;7-5-,8-6+.
What are the key properties of (2Z)-N,3-dimethylpenta-2,4-dien-1-imine;1,4,4-trimethylpiperidine?
(2Z)-N,3-dimethylpenta-2,4-dien-1-imine;1,4,4-trimethylpiperidine has a molecular weight of 236.40 g/mol, XLogP of 3.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-N,3-dimethylpenta-2,4-dien-1-imine;1,4,4-trimethylpiperidine is sourced from PubChem (CID 142009709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).