N-but-1-en-2-yl-2-methylidene-N-prop-1-en-2-yl-4-pyridin-3-ylbutan-1-amine

C17H24N2 — CID 143617286

IUPACN-but-1-en-2-yl-2-methylidene-N-prop-1-en-2-yl-4-pyridin-3-ylbutan-1-amine
SMILESC=C(CCc1cccnc1)CN(C(=C)C)C(=C)CC
InChIInChI=1S/C17H24N2/c1-6-16(5)19(14(2)3)13-15(4)9-10-17-8-7-11-18-12-17/h7-8,11-12H,2,4-6,9-10,13H2,1,3H3
InChIKeyAHBYMOXNAWUUIM-UHFFFAOYSA-N
MW256.39 g/mol
LogP4.33
Rot. Bonds8

About N-but-1-en-2-yl-2-methylidene-N-prop-1-en-2-yl-4-pyridin-3-ylbutan-1-amine

N-but-1-en-2-yl-2-methylidene-N-prop-1-en-2-yl-4-pyridin-3-ylbutan-1-amine (PubChem CID 143617286) has the molecular formula C17H24N2 and a molecular weight of 256.39 g/mol. Its IUPAC name is N-but-1-en-2-yl-2-methylidene-N-prop-1-en-2-yl-4-pyridin-3-ylbutan-1-amine.

Molecular Properties

Compound NameN-but-1-en-2-yl-2-methylidene-N-prop-1-en-2-yl-4-pyridin-3-ylbutan-1-amine
PubChem CID143617286
Molecular FormulaC17H24N2
Molecular Weight256.39 g/mol
Exact Mass256.19
IUPAC NameN-but-1-en-2-yl-2-methylidene-N-prop-1-en-2-yl-4-pyridin-3-ylbutan-1-amine
SMILESC=C(CCc1cccnc1)CN(C(=C)C)C(=C)CC
InChIInChI=1S/C17H24N2/c1-6-16(5)19(14(2)3)13-15(4)9-10-17-8-7-11-18-12-17/h7-8,11-12H,2,4-6,9-10,13H2,1,3H3
InChIKeyAHBYMOXNAWUUIM-UHFFFAOYSA-N
XLogP4.33
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-but-1-en-2-yl-2-methylidene-N-prop-1-en-2-yl-4-pyridin-3-ylbutan-1-amine?
The IUPAC name of N-but-1-en-2-yl-2-methylidene-N-prop-1-en-2-yl-4-pyridin-3-ylbutan-1-amine (CID 143617286) is N-but-1-en-2-yl-2-methylidene-N-prop-1-en-2-yl-4-pyridin-3-ylbutan-1-amine.
What is the SMILES notation for N-but-1-en-2-yl-2-methylidene-N-prop-1-en-2-yl-4-pyridin-3-ylbutan-1-amine?
The canonical SMILES for N-but-1-en-2-yl-2-methylidene-N-prop-1-en-2-yl-4-pyridin-3-ylbutan-1-amine is C=C(CCc1cccnc1)CN(C(=C)C)C(=C)CC.
What is the InChIKey of N-but-1-en-2-yl-2-methylidene-N-prop-1-en-2-yl-4-pyridin-3-ylbutan-1-amine?
The InChIKey is AHBYMOXNAWUUIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2/c1-6-16(5)19(14(2)3)13-15(4)9-10-17-8-7-11-18-12-17/h7-8,11-12H,2,4-6,9-10,13H2,1,3H3.
What are the key properties of N-but-1-en-2-yl-2-methylidene-N-prop-1-en-2-yl-4-pyridin-3-ylbutan-1-amine?
N-but-1-en-2-yl-2-methylidene-N-prop-1-en-2-yl-4-pyridin-3-ylbutan-1-amine has a molecular weight of 256.39 g/mol, XLogP of 4.33, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-1-en-2-yl-2-methylidene-N-prop-1-en-2-yl-4-pyridin-3-ylbutan-1-amine is sourced from PubChem (CID 143617286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).