1-methyl-1-(1-methylpiperidin-4-yl)-2-[(2Z)-penta-2,4-dien-2-yl]guanidine

C13H24N4 — CID 89170054

IUPAC1-methyl-1-(1-methylpiperidin-4-yl)-2-[(2Z)-penta-2,4-dien-2-yl]guanidine
SMILESC=C/C=C(C)\N=C(/N)N(C)C1CCN(C)CC1
InChIInChI=1S/C13H24N4/c1-5-6-11(2)15-13(14)17(4)12-7-9-16(3)10-8-12/h5-6,12H,1,7-10H2,2-4H3,(H2,14,15)/b11-6-
InChIKeyVCCGYKJRZMEKOB-WDZFZDKYSA-N
MW236.36 g/mol
LogP1.42
Rot. Bonds3

About 1-methyl-1-(1-methylpiperidin-4-yl)-2-[(2Z)-penta-2,4-dien-2-yl]guanidine

1-methyl-1-(1-methylpiperidin-4-yl)-2-[(2Z)-penta-2,4-dien-2-yl]guanidine (PubChem CID 89170054) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-methyl-1-(1-methylpiperidin-4-yl)-2-[(2Z)-penta-2,4-dien-2-yl]guanidine.

Molecular Properties

Compound Name1-methyl-1-(1-methylpiperidin-4-yl)-2-[(2Z)-penta-2,4-dien-2-yl]guanidine
PubChem CID89170054
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name1-methyl-1-(1-methylpiperidin-4-yl)-2-[(2Z)-penta-2,4-dien-2-yl]guanidine
SMILESC=C/C=C(C)\N=C(/N)N(C)C1CCN(C)CC1
InChIInChI=1S/C13H24N4/c1-5-6-11(2)15-13(14)17(4)12-7-9-16(3)10-8-12/h5-6,12H,1,7-10H2,2-4H3,(H2,14,15)/b11-6-
InChIKeyVCCGYKJRZMEKOB-WDZFZDKYSA-N
XLogP1.42
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-(1-methylpiperidin-4-yl)-2-[(2Z)-penta-2,4-dien-2-yl]guanidine?
The IUPAC name of 1-methyl-1-(1-methylpiperidin-4-yl)-2-[(2Z)-penta-2,4-dien-2-yl]guanidine (CID 89170054) is 1-methyl-1-(1-methylpiperidin-4-yl)-2-[(2Z)-penta-2,4-dien-2-yl]guanidine.
What is the SMILES notation for 1-methyl-1-(1-methylpiperidin-4-yl)-2-[(2Z)-penta-2,4-dien-2-yl]guanidine?
The canonical SMILES for 1-methyl-1-(1-methylpiperidin-4-yl)-2-[(2Z)-penta-2,4-dien-2-yl]guanidine is C=C/C=C(C)\N=C(/N)N(C)C1CCN(C)CC1.
What is the InChIKey of 1-methyl-1-(1-methylpiperidin-4-yl)-2-[(2Z)-penta-2,4-dien-2-yl]guanidine?
The InChIKey is VCCGYKJRZMEKOB-WDZFZDKYSA-N. The full InChI is InChI=1S/C13H24N4/c1-5-6-11(2)15-13(14)17(4)12-7-9-16(3)10-8-12/h5-6,12H,1,7-10H2,2-4H3,(H2,14,15)/b11-6-.
What are the key properties of 1-methyl-1-(1-methylpiperidin-4-yl)-2-[(2Z)-penta-2,4-dien-2-yl]guanidine?
1-methyl-1-(1-methylpiperidin-4-yl)-2-[(2Z)-penta-2,4-dien-2-yl]guanidine has a molecular weight of 236.36 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-(1-methylpiperidin-4-yl)-2-[(2Z)-penta-2,4-dien-2-yl]guanidine is sourced from PubChem (CID 89170054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).