N-[(1Z)-buta-1,3-dienyl]-N-methyl-6-(2-methylpropyl)pyridin-2-amine

C14H20N2 — CID 143699540

IUPACN-[(1Z)-buta-1,3-dienyl]-N-methyl-6-(2-methylpropyl)pyridin-2-amine
SMILESC=C/C=C\N(C)c1cccc(CC(C)C)n1
InChIInChI=1S/C14H20N2/c1-5-6-10-16(4)14-9-7-8-13(15-14)11-12(2)3/h5-10,12H,1,11H2,2-4H3/b10-6-
InChIKeyMKZWJAUJGQPLHF-POHAHGRESA-N
MW216.33 g/mol
LogP3.42
Rot. Bonds5

About N-[(1Z)-buta-1,3-dienyl]-N-methyl-6-(2-methylpropyl)pyridin-2-amine

N-[(1Z)-buta-1,3-dienyl]-N-methyl-6-(2-methylpropyl)pyridin-2-amine (PubChem CID 143699540) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is N-[(1Z)-buta-1,3-dienyl]-N-methyl-6-(2-methylpropyl)pyridin-2-amine.

Molecular Properties

Compound NameN-[(1Z)-buta-1,3-dienyl]-N-methyl-6-(2-methylpropyl)pyridin-2-amine
PubChem CID143699540
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC NameN-[(1Z)-buta-1,3-dienyl]-N-methyl-6-(2-methylpropyl)pyridin-2-amine
SMILESC=C/C=C\N(C)c1cccc(CC(C)C)n1
InChIInChI=1S/C14H20N2/c1-5-6-10-16(4)14-9-7-8-13(15-14)11-12(2)3/h5-10,12H,1,11H2,2-4H3/b10-6-
InChIKeyMKZWJAUJGQPLHF-POHAHGRESA-N
XLogP3.42
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 53.42
H-Bond Donors ≤ 50
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-[(1Z)-buta-1,3-dienyl]-N-methyl-6-(2-methylpropyl)pyridin-2-amine?
The IUPAC name of N-[(1Z)-buta-1,3-dienyl]-N-methyl-6-(2-methylpropyl)pyridin-2-amine (CID 143699540) is N-[(1Z)-buta-1,3-dienyl]-N-methyl-6-(2-methylpropyl)pyridin-2-amine.
What is the SMILES notation for N-[(1Z)-buta-1,3-dienyl]-N-methyl-6-(2-methylpropyl)pyridin-2-amine?
The canonical SMILES for N-[(1Z)-buta-1,3-dienyl]-N-methyl-6-(2-methylpropyl)pyridin-2-amine is C=C/C=C\N(C)c1cccc(CC(C)C)n1.
What is the InChIKey of N-[(1Z)-buta-1,3-dienyl]-N-methyl-6-(2-methylpropyl)pyridin-2-amine?
The InChIKey is MKZWJAUJGQPLHF-POHAHGRESA-N. The full InChI is InChI=1S/C14H20N2/c1-5-6-10-16(4)14-9-7-8-13(15-14)11-12(2)3/h5-10,12H,1,11H2,2-4H3/b10-6-.
What are the key properties of N-[(1Z)-buta-1,3-dienyl]-N-methyl-6-(2-methylpropyl)pyridin-2-amine?
N-[(1Z)-buta-1,3-dienyl]-N-methyl-6-(2-methylpropyl)pyridin-2-amine has a molecular weight of 216.33 g/mol, XLogP of 3.42, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1Z)-buta-1,3-dienyl]-N-methyl-6-(2-methylpropyl)pyridin-2-amine is sourced from PubChem (CID 143699540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).