1-methyl-N-[(1Z,3Z)-penta-1,3-dienyl]piperidin-4-amine

C11H20N2 — CID 89271141

IUPAC1-methyl-N-[(1Z,3Z)-penta-1,3-dienyl]piperidin-4-amine
SMILESC/C=C\C=C/NC1CCN(C)CC1
InChIInChI=1S/C11H20N2/c1-3-4-5-8-12-11-6-9-13(2)10-7-11/h3-5,8,11-12H,6-7,9-10H2,1-2H3/b4-3-,8-5-
InChIKeySSMHYYBHWZUFNH-UBNNFMAXSA-N
MW180.30 g/mol
LogP1.76
Rot. Bonds3

About 1-methyl-N-[(1Z,3Z)-penta-1,3-dienyl]piperidin-4-amine

1-methyl-N-[(1Z,3Z)-penta-1,3-dienyl]piperidin-4-amine (PubChem CID 89271141) has the molecular formula C11H20N2 and a molecular weight of 180.30 g/mol. Its IUPAC name is 1-methyl-N-[(1Z,3Z)-penta-1,3-dienyl]piperidin-4-amine.

Molecular Properties

Compound Name1-methyl-N-[(1Z,3Z)-penta-1,3-dienyl]piperidin-4-amine
PubChem CID89271141
Molecular FormulaC11H20N2
Molecular Weight180.30 g/mol
Exact Mass180.16
IUPAC Name1-methyl-N-[(1Z,3Z)-penta-1,3-dienyl]piperidin-4-amine
SMILESC/C=C\C=C/NC1CCN(C)CC1
InChIInChI=1S/C11H20N2/c1-3-4-5-8-12-11-6-9-13(2)10-7-11/h3-5,8,11-12H,6-7,9-10H2,1-2H3/b4-3-,8-5-
InChIKeySSMHYYBHWZUFNH-UBNNFMAXSA-N
XLogP1.76
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.30
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(1E,3E)-2-bromopenta-1,3-dienyl]-1-(2-fluoro-2-methylpropyl)piperidin-4-amine
CID 139448847
N-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]piperidin-4-amine
CID 145284766
(1Z,3Z)-2-fluoro-N'-methyl-N-piperidin-4-ylpenta-1,3-diene-1,5-diamine
CID 156450873
3-fluoro-1-piperidin-4-yl-2H-pyridine
CID 174866402
5-fluoro-1-piperidin-4-yl-2H-pyridine
CID 174866407
1-methyl-N-(prop-2-en-1-yl)piperidin-4-amine
CID 4711811
1-(1-methylpiperidin-4-yl)-2H-pyridine
CID 18335516
1-piperidin-4-yl-2H-pyridin-4-amine
CID 19068126
N-methyl-3-(2H-pyridin-1-yl)butan-1-amine
CID 23354009
N-methyl-N-prop-2-enylpiperidin-4-amine
CID 43607260
1-methyl-N-prop-1-enylpiperidin-4-amine
CID 57636047
CID 57718826
CID 57718826

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(1Z,3Z)-penta-1,3-dienyl]piperidin-4-amine?
The IUPAC name of 1-methyl-N-[(1Z,3Z)-penta-1,3-dienyl]piperidin-4-amine (CID 89271141) is 1-methyl-N-[(1Z,3Z)-penta-1,3-dienyl]piperidin-4-amine.
What is the SMILES notation for 1-methyl-N-[(1Z,3Z)-penta-1,3-dienyl]piperidin-4-amine?
The canonical SMILES for 1-methyl-N-[(1Z,3Z)-penta-1,3-dienyl]piperidin-4-amine is C/C=C\C=C/NC1CCN(C)CC1.
What is the InChIKey of 1-methyl-N-[(1Z,3Z)-penta-1,3-dienyl]piperidin-4-amine?
The InChIKey is SSMHYYBHWZUFNH-UBNNFMAXSA-N. The full InChI is InChI=1S/C11H20N2/c1-3-4-5-8-12-11-6-9-13(2)10-7-11/h3-5,8,11-12H,6-7,9-10H2,1-2H3/b4-3-,8-5-.
What are the key properties of 1-methyl-N-[(1Z,3Z)-penta-1,3-dienyl]piperidin-4-amine?
1-methyl-N-[(1Z,3Z)-penta-1,3-dienyl]piperidin-4-amine has a molecular weight of 180.30 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(1Z,3Z)-penta-1,3-dienyl]piperidin-4-amine is sourced from PubChem (CID 89271141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).