(2Z,4Z)-N-methyl-3-piperidin-1-ylhepta-2,4,6-trien-2-amine

C13H22N2 — CID 143800937

IUPAC(2Z,4Z)-N-methyl-3-piperidin-1-ylhepta-2,4,6-trien-2-amine
SMILESC=C/C=C\C(=C(/C)NC)N1CCCCC1
InChIInChI=1S/C13H22N2/c1-4-5-9-13(12(2)14-3)15-10-7-6-8-11-15/h4-5,9,14H,1,6-8,10-11H2,2-3H3/b9-5-,13-12-
InChIKeyVGOPAISKDFRBME-AICKFXJLSA-N
MW206.33 g/mol
LogP2.67
Rot. Bonds4

About (2Z,4Z)-N-methyl-3-piperidin-1-ylhepta-2,4,6-trien-2-amine

(2Z,4Z)-N-methyl-3-piperidin-1-ylhepta-2,4,6-trien-2-amine (PubChem CID 143800937) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is (2Z,4Z)-N-methyl-3-piperidin-1-ylhepta-2,4,6-trien-2-amine.

Molecular Properties

Compound Name(2Z,4Z)-N-methyl-3-piperidin-1-ylhepta-2,4,6-trien-2-amine
PubChem CID143800937
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name(2Z,4Z)-N-methyl-3-piperidin-1-ylhepta-2,4,6-trien-2-amine
SMILESC=C/C=C\C(=C(/C)NC)N1CCCCC1
InChIInChI=1S/C13H22N2/c1-4-5-9-13(12(2)14-3)15-10-7-6-8-11-15/h4-5,9,14H,1,6-8,10-11H2,2-3H3/b9-5-,13-12-
InChIKeyVGOPAISKDFRBME-AICKFXJLSA-N
XLogP2.67
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2Z,4Z)-N-methyl-3-piperidin-1-ylhepta-2,4,6-trien-2-amine with MolForge

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Related Compounds

(3E)-4-fluoro-5-piperidin-1-ylhexa-1,3,5-trien-2-amine
CID 143599145
(1Z,3E)-3-fluoro-2-piperidin-1-ylhexa-1,3,5-trien-1-amine
CID 144287729
N-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]piperidin-4-amine
CID 145284766
(2Z,4Z)-2-(4,4-difluoropiperidin-1-yl)hepta-2,4,6-trien-3-amine
CID 156371502
(1Z,3Z)-2-fluoro-N'-methyl-N-piperidin-4-ylpenta-1,3-diene-1,5-diamine
CID 156450873
(2Z,4Z)-3-(4-fluoropiperidin-1-yl)hepta-2,4,6-trien-2-amine
CID 156739146
(3Z,5Z)-3-(4,4-difluoropiperidin-1-yl)hepta-1,3,5-trien-4-amine
CID 163241437
1-methyl-N-(prop-2-en-1-yl)piperidin-4-amine
CID 4711811
1-piperidin-4-yl-2H-pyridin-4-amine
CID 19068126
1-[(3E)-penta-1,3-dien-3-yl]piperidine
CID 22149549
N-methyl-N-prop-2-enylpiperidin-4-amine
CID 43607260
N-methyl-1-prop-2-enylpiperidin-4-amine
CID 59708827

Frequently Asked Questions

What is the IUPAC name of (2Z,4Z)-N-methyl-3-piperidin-1-ylhepta-2,4,6-trien-2-amine?
The IUPAC name of (2Z,4Z)-N-methyl-3-piperidin-1-ylhepta-2,4,6-trien-2-amine (CID 143800937) is (2Z,4Z)-N-methyl-3-piperidin-1-ylhepta-2,4,6-trien-2-amine.
What is the SMILES notation for (2Z,4Z)-N-methyl-3-piperidin-1-ylhepta-2,4,6-trien-2-amine?
The canonical SMILES for (2Z,4Z)-N-methyl-3-piperidin-1-ylhepta-2,4,6-trien-2-amine is C=C/C=C\C(=C(/C)NC)N1CCCCC1.
What is the InChIKey of (2Z,4Z)-N-methyl-3-piperidin-1-ylhepta-2,4,6-trien-2-amine?
The InChIKey is VGOPAISKDFRBME-AICKFXJLSA-N. The full InChI is InChI=1S/C13H22N2/c1-4-5-9-13(12(2)14-3)15-10-7-6-8-11-15/h4-5,9,14H,1,6-8,10-11H2,2-3H3/b9-5-,13-12-.
What are the key properties of (2Z,4Z)-N-methyl-3-piperidin-1-ylhepta-2,4,6-trien-2-amine?
(2Z,4Z)-N-methyl-3-piperidin-1-ylhepta-2,4,6-trien-2-amine has a molecular weight of 206.33 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-N-methyl-3-piperidin-1-ylhepta-2,4,6-trien-2-amine is sourced from PubChem (CID 143800937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).