N'-methyl-N-[(3Z)-4-methylhexa-3,5-dienyl]piperidine-1-carboximidamide

C14H25N3 — CID 170128044

IUPACN'-methyl-N-[(3Z)-4-methylhexa-3,5-dienyl]piperidine-1-carboximidamide
SMILESC=C/C(C)=C\CCN/C(=N\C)N1CCCCC1
InChIInChI=1S/C14H25N3/c1-4-13(2)9-8-10-16-14(15-3)17-11-6-5-7-12-17/h4,9H,1,5-8,10-12H2,2-3H3,(H,15,16)/b13-9-
InChIKeyYCSHVYXVGZYNLJ-LCYFTJDESA-N
MW235.37 g/mol
LogP2.57
Rot. Bonds4

About N'-methyl-N-[(3Z)-4-methylhexa-3,5-dienyl]piperidine-1-carboximidamide

N'-methyl-N-[(3Z)-4-methylhexa-3,5-dienyl]piperidine-1-carboximidamide (PubChem CID 170128044) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is N'-methyl-N-[(3Z)-4-methylhexa-3,5-dienyl]piperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-methyl-N-[(3Z)-4-methylhexa-3,5-dienyl]piperidine-1-carboximidamide
PubChem CID170128044
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC NameN'-methyl-N-[(3Z)-4-methylhexa-3,5-dienyl]piperidine-1-carboximidamide
SMILESC=C/C(C)=C\CCN/C(=N\C)N1CCCCC1
InChIInChI=1S/C14H25N3/c1-4-13(2)9-8-10-16-14(15-3)17-11-6-5-7-12-17/h4,9H,1,5-8,10-12H2,2-3H3,(H,15,16)/b13-9-
InChIKeyYCSHVYXVGZYNLJ-LCYFTJDESA-N
XLogP2.57
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 N'-methyl-N-[(3Z)-4-methylhexa-3,5-dienyl]piperidine-1-carboximidamide?
The IUPAC name of N'-methyl-N-[(3Z)-4-methylhexa-3,5-dienyl]piperidine-1-carboximidamide (CID 170128044) is N'-methyl-N-[(3Z)-4-methylhexa-3,5-dienyl]piperidine-1-carboximidamide.
What is the SMILES notation for N'-methyl-N-[(3Z)-4-methylhexa-3,5-dienyl]piperidine-1-carboximidamide?
The canonical SMILES for N'-methyl-N-[(3Z)-4-methylhexa-3,5-dienyl]piperidine-1-carboximidamide is C=C/C(C)=C\CCN/C(=N\C)N1CCCCC1.
What is the InChIKey of N'-methyl-N-[(3Z)-4-methylhexa-3,5-dienyl]piperidine-1-carboximidamide?
The InChIKey is YCSHVYXVGZYNLJ-LCYFTJDESA-N. The full InChI is InChI=1S/C14H25N3/c1-4-13(2)9-8-10-16-14(15-3)17-11-6-5-7-12-17/h4,9H,1,5-8,10-12H2,2-3H3,(H,15,16)/b13-9-.
What are the key properties of N'-methyl-N-[(3Z)-4-methylhexa-3,5-dienyl]piperidine-1-carboximidamide?
N'-methyl-N-[(3Z)-4-methylhexa-3,5-dienyl]piperidine-1-carboximidamide has a molecular weight of 235.37 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-[(3Z)-4-methylhexa-3,5-dienyl]piperidine-1-carboximidamide is sourced from PubChem (CID 170128044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).