N-methyl-N-[(3Z)-2-methylidenehexa-3,5-dienyl]piperidin-4-amine

C13H22N2 — CID 143814459

IUPACN-methyl-N-[(3Z)-2-methylidenehexa-3,5-dienyl]piperidin-4-amine
SMILESC=C/C=C\C(=C)CN(C)C1CCNCC1
InChIInChI=1S/C13H22N2/c1-4-5-6-12(2)11-15(3)13-7-9-14-10-8-13/h4-6,13-14H,1-2,7-11H2,3H3/b6-5-
InChIKeyDBGGSMZALUDTAJ-WAYWQWQTSA-N
MW206.33 g/mol
LogP1.97
Rot. Bonds5

About N-methyl-N-[(3Z)-2-methylidenehexa-3,5-dienyl]piperidin-4-amine

N-methyl-N-[(3Z)-2-methylidenehexa-3,5-dienyl]piperidin-4-amine (PubChem CID 143814459) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is N-methyl-N-[(3Z)-2-methylidenehexa-3,5-dienyl]piperidin-4-amine.

Molecular Properties

Compound NameN-methyl-N-[(3Z)-2-methylidenehexa-3,5-dienyl]piperidin-4-amine
PubChem CID143814459
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC NameN-methyl-N-[(3Z)-2-methylidenehexa-3,5-dienyl]piperidin-4-amine
SMILESC=C/C=C\C(=C)CN(C)C1CCNCC1
InChIInChI=1S/C13H22N2/c1-4-5-6-12(2)11-15(3)13-7-9-14-10-8-13/h4-6,13-14H,1-2,7-11H2,3H3/b6-5-
InChIKeyDBGGSMZALUDTAJ-WAYWQWQTSA-N
XLogP1.97
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 51.97
H-Bond Donors ≤ 51
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 N-methyl-N-[(3Z)-2-methylidenehexa-3,5-dienyl]piperidin-4-amine?
The IUPAC name of N-methyl-N-[(3Z)-2-methylidenehexa-3,5-dienyl]piperidin-4-amine (CID 143814459) is N-methyl-N-[(3Z)-2-methylidenehexa-3,5-dienyl]piperidin-4-amine.
What is the SMILES notation for N-methyl-N-[(3Z)-2-methylidenehexa-3,5-dienyl]piperidin-4-amine?
The canonical SMILES for N-methyl-N-[(3Z)-2-methylidenehexa-3,5-dienyl]piperidin-4-amine is C=C/C=C\C(=C)CN(C)C1CCNCC1.
What is the InChIKey of N-methyl-N-[(3Z)-2-methylidenehexa-3,5-dienyl]piperidin-4-amine?
The InChIKey is DBGGSMZALUDTAJ-WAYWQWQTSA-N. The full InChI is InChI=1S/C13H22N2/c1-4-5-6-12(2)11-15(3)13-7-9-14-10-8-13/h4-6,13-14H,1-2,7-11H2,3H3/b6-5-.
What are the key properties of N-methyl-N-[(3Z)-2-methylidenehexa-3,5-dienyl]piperidin-4-amine?
N-methyl-N-[(3Z)-2-methylidenehexa-3,5-dienyl]piperidin-4-amine has a molecular weight of 206.33 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(3Z)-2-methylidenehexa-3,5-dienyl]piperidin-4-amine is sourced from PubChem (CID 143814459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).